#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1c3v s ARG 502 N 0.00 4.25 -0.07 2.12 0.52 -1.26 -0.24 118.95 124.27 1c3v s ARG 502 Ca 0.00 1.16 0.03 0.00 -0.52 0.00 0.00 55.73 56.41 1c3v s ARG 502 Cb 0.00 -3.62 0.01 0.00 0.52 0.00 0.00 34.95 31.85 1c3v s ARG 502 CO 0.00 -0.52 -0.16 0.08 0.02 0.00 0.00 175.30 174.72 1c3v s VAL 503 N 2.81 1.44 0.10 3.52 1.01 0.25 -2.25 120.40 127.27 1c3v s VAL 503 Ca 0.40 -0.67 0.07 0.00 0.00 0.00 0.00 61.98 61.79 1c3v s VAL 503 Cb -0.16 -1.27 -0.04 0.00 0.00 0.00 0.00 36.38 34.92 1c3v s VAL 503 CO 0.08 0.42 -0.13 -0.83 0.00 0.00 0.00 175.10 174.64 1c3v s GLY 504 N 0.45 1.74 -0.20 4.51 0.00 -0.60 -0.52 107.32 112.69 1c3v s GLY 504 Ca -0.13 -1.26 -0.03 0.00 0.00 0.00 0.00 44.72 43.30 1c3v s GLY 504 CO 0.05 -1.23 -0.08 0.14 0.00 0.00 0.00 173.10 171.98 1c3v s VAL 505 N -1.15 3.13 -0.42 1.40 1.01 -0.34 -1.19 120.40 122.84 1c3v s VAL 505 Ca 0.19 -0.58 -0.21 0.00 0.00 0.00 0.00 61.98 61.38 1c3v s VAL 505 Cb -0.11 -2.40 0.02 0.00 0.00 0.00 0.00 36.38 33.89 1c3v s VAL 505 CO 0.11 0.45 0.69 -0.76 0.00 0.00 0.00 175.10 175.59 1c3v s LEU 506 N 1.33 4.37 0.00 3.92 1.43 0.32 -2.11 118.68 127.94 1c3v s LEU 506 Ca 0.04 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.99 1c3v s LEU 506 Cb -0.14 -2.81 0.00 0.00 0.03 0.00 0.00 46.19 43.26 1c3v s LEU 506 CO -0.04 -0.78 0.00 0.61 0.23 0.00 0.00 176.35 176.37 1c3v n GLY 507 N 4.93 1.54 0.02 -3.19 0.00 -0.82 -2.21 105.19 105.46 1c3v n GLY 507 Ca -0.00 -0.10 0.01 0.00 0.00 0.00 0.00 46.02 45.93 1c3v n GLY 507 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c3v n ALA 508 N -0.78 0.69 0.69 4.61 0.00 -0.56 -0.65 120.51 124.50 1c3v n ALA 508 Ca 0.00 0.02 0.11 0.00 0.00 0.00 0.00 53.44 53.56 1c3v n ALA 508 Cb 0.06 -0.71 -0.07 0.00 0.00 0.00 0.00 19.45 18.72 1c3v n ALA 508 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.50 179.13 1c3v n LYS 509 N -1.44 0.21 -1.12 0.00 4.01 -1.26 -2.95 118.16 115.61 1c3v n LYS 509 Ca -0.00 -0.04 -0.29 0.00 -0.51 0.00 0.00 58.31 57.47 1c3v n LYS 509 Cb 0.17 -1.53 0.17 0.00 -0.51 0.00 0.00 35.03 33.34 1c3v n LYS 509 CO 0.00 0.00 0.00 0.20 -1.11 0.00 0.00 177.40 176.49 1c3v s GLY 510 N -3.47 1.58 0.17 0.72 0.00 0.17 -4.68 107.32 101.81 1c3v s GLY 510 Ca 0.04 -0.25 -0.15 0.00 0.00 0.00 0.00 44.72 44.36 1c3v s GLY 510 CO 0.85 0.34 1.72 0.50 0.00 0.00 0.00 173.10 176.51 1c3v h LYS 511 N -1.87 0.21 0.24 2.90 1.57 -1.93 -1.18 116.57 116.50 1c3v h LYS 511 Ca -0.54 -0.01 -0.34 0.00 -1.87 0.00 0.00 60.65 57.89 1c3v h LYS 511 Cb 1.32 -0.05 0.03 0.00 0.08 0.00 0.00 32.23 33.61 1c3v h LYS 511 CO 0.56 0.14 -1.54 0.28 -0.57 0.00 0.00 179.45 178.32 1c3v h VAL 512 N 0.21 1.20 -0.40 0.50 2.07 -1.91 -3.35 116.25 114.57 1c3v h VAL 512 Ca 0.21 -2.65 0.06 0.00 0.82 0.00 0.00 66.70 65.15 1c3v h VAL 512 Cb 0.26 2.98 -0.06 0.00 -1.52 0.00 0.00 31.29 32.96 1c3v h VAL 512 CO -0.28 0.82 0.06 1.23 0.02 0.00 0.00 177.57 179.42 1c3v h GLY 513 N 0.26 0.45 1.85 2.17 0.00 -1.67 -1.61 103.07 104.51 1c3v h GLY 513 Ca -0.28 -0.00 0.02 0.00 0.00 0.00 0.00 47.33 47.07 1c3v h GLY 513 CO 0.25 -0.05 0.06 -0.84 0.00 0.00 0.00 176.54 175.96 1c3v h THR 514 N 0.18 0.97 -0.11 4.70 2.02 -1.10 -0.64 112.91 118.93 1c3v h THR 514 Ca 0.19 -0.01 -0.10 0.00 0.77 0.00 0.00 66.41 67.26 1c3v h THR 514 Cb 0.24 0.94 0.00 0.00 -1.74 0.00 0.00 68.15 67.60 1c3v h THR 514 CO -0.27 0.01 -0.32 0.74 0.37 0.00 0.00 175.52 176.05 1c3v h THR 515 N 0.03 1.39 -0.86 3.16 2.02 -1.46 -2.59 112.91 114.60 1c3v h THR 515 Ca 0.04 -1.65 -0.02 0.00 0.77 0.00 0.00 66.41 65.55 1c3v h THR 515 Cb 0.12 2.16 -0.04 0.00 -1.74 0.00 0.00 68.15 68.65 1c3v h THR 515 CO -0.00 0.48 0.45 0.24 0.37 0.00 0.00 175.52 177.06 1c3v h MET 516 N -0.04 1.22 -0.12 6.66 2.86 -0.54 -0.19 114.93 124.79 1c3v h MET 516 Ca -0.01 -0.16 0.01 0.00 -2.06 0.00 0.00 59.70 57.48 1c3v h MET 516 Cb 0.94 -0.23 -0.01 0.00 0.06 0.00 0.00 31.60 32.36 1c3v h MET 516 CO 0.07 0.91 0.05 0.28 1.06 0.00 0.00 176.91 179.28 1c3v h VAL 517 N 1.22 0.98 -0.95 -2.22 2.07 -1.18 0.71 116.25 116.87 1c3v h VAL 517 Ca 0.30 -0.04 0.02 0.00 0.82 0.00 0.00 66.70 67.80 1c3v h VAL 517 Cb 0.07 0.87 -0.05 0.00 -1.52 0.00 0.00 31.29 30.65 1c3v h VAL 517 CO -0.04 0.02 0.63 0.03 0.02 0.00 0.00 177.57 178.23 1c3v h ARG 518 N 0.11 1.24 -0.10 1.57 -0.00 -1.04 -0.88 114.38 115.27 1c3v h ARG 518 Ca 0.05 -0.07 -0.01 0.00 -0.50 0.00 0.00 59.98 59.44 1c3v h ARG 518 Cb 0.02 -0.28 -0.00 0.00 0.00 0.00 0.00 29.97 29.71 1c3v h ARG 518 CO -0.04 0.82 0.02 0.00 0.00 0.00 0.00 179.97 180.77 1c3v h ALA 519 N 1.36 0.13 -0.55 0.04 0.00 -0.51 -2.31 119.26 117.42 1c3v h ALA 519 Ca 0.36 -0.14 -0.06 0.00 0.00 0.00 0.00 54.91 55.07 1c3v h ALA 519 Cb -0.12 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 17.61 1c3v h ALA 519 CO -0.09 -0.23 0.12 0.28 0.00 0.00 0.00 179.25 179.33 1c3v h VAL 520 N -0.05 1.23 0.00 0.00 2.07 -0.67 -1.40 116.25 117.44 1c3v h VAL 520 Ca 0.03 -0.86 -0.05 0.00 0.82 0.00 0.00 66.70 66.65 1c3v h VAL 520 Cb 0.26 0.69 -0.01 0.00 -1.52 0.00 0.00 31.29 30.71 1c3v h VAL 520 CO 0.00 0.32 -0.23 0.00 0.02 0.00 0.00 177.57 177.68 1c3v h ALA 521 N 1.31 1.46 0.00 1.67 0.00 -1.07 -2.56 119.26 120.07 1c3v h ALA 521 Ca 0.18 -0.21 -0.12 0.00 0.00 0.00 0.00 54.91 54.76 1c3v h ALA 521 Cb 0.32 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 18.06 1c3v h ALA 521 CO 0.00 0.29 -0.98 0.00 0.00 0.00 0.00 179.25 178.56 1c3v h ALA 522 N 1.77 0.65 -1.99 0.00 0.00 -0.82 -3.45 119.26 115.42 1c3v h ALA 522 Ca -0.00 -0.56 -0.57 0.00 0.00 0.00 0.00 54.91 53.78 1c3v h ALA 522 Cb 0.45 0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.33 1c3v h ALA 522 CO 0.03 0.65 1.23 0.00 0.00 0.00 0.00 179.25 181.17 1c3v s ALA 523 N -3.01 3.08 0.43 0.00 0.00 -0.58 -4.87 121.76 116.81 1c3v s ALA 523 Ca 0.00 0.49 0.36 0.00 0.00 0.00 0.00 51.96 52.81 1c3v s ALA 523 Cb 0.08 -3.94 1.84 0.00 0.00 0.00 0.00 23.12 21.10 1c3v s ALA 523 CO 0.78 -2.28 2.18 0.38 0.00 0.00 0.00 175.76 176.82 1c3v h ASP 524 N 12.03 0.00 -0.27 0.00 -0.00 -1.87 -2.38 116.42 123.93 1c3v h ASP 524 Ca -0.36 0.00 0.00 0.00 -0.00 0.00 0.00 57.03 56.67 1c3v h ASP 524 Cb 1.17 0.00 0.00 0.00 -0.00 0.00 0.00 39.33 40.50 1c3v h ASP 524 CO 1.00 0.03 0.00 -0.90 -0.00 0.00 0.00 179.24 179.38 1c3v n ASP 525 N -3.26 3.31 -4.23 4.15 5.75 -1.26 -4.95 116.55 116.05 1c3v n ASP 525 Ca -0.02 -1.99 -0.24 0.00 -0.01 0.00 0.00 54.79 52.53 1c3v n ASP 525 Cb 0.18 -0.17 -0.14 0.00 -1.03 0.00 0.00 41.12 39.97 1c3v n ASP 525 CO 0.00 0.00 0.00 -0.76 -0.11 0.00 0.00 177.20 176.33 1c3v s LEU 526 N -1.63 2.19 -0.17 -2.12 1.43 -0.90 -3.31 118.68 114.17 1c3v s LEU 526 Ca 0.35 -0.53 0.01 0.00 -1.03 0.00 0.00 54.13 52.92 1c3v s LEU 526 Cb 0.22 -0.88 0.01 0.00 0.03 0.00 0.00 46.19 45.57 1c3v s LEU 526 CO 0.31 0.12 -0.19 -0.89 0.23 0.00 0.00 176.35 175.92 1c3v s THR 527 N -0.87 2.18 -0.64 5.49 2.01 0.67 -4.73 115.64 119.75 1c3v s THR 527 Ca 0.06 -0.91 -0.27 0.00 0.31 0.00 0.00 61.69 60.88 1c3v s THR 527 Cb -0.09 -1.91 0.00 0.00 0.01 0.00 0.00 72.50 70.52 1c3v s THR 527 CO 0.02 0.53 1.60 -0.22 -0.69 0.00 0.00 174.62 175.86 1c3v s LEU 528 N 1.17 3.26 0.08 4.42 0.20 -1.26 0.85 118.68 127.39 1c3v s LEU 528 Ca 0.02 0.08 0.17 0.00 0.69 0.00 0.00 54.13 55.09 1c3v s LEU 528 Cb -0.14 -2.64 -0.12 0.00 -0.43 0.00 0.00 46.19 42.86 1c3v s LEU 528 CO -0.09 -2.08 0.86 0.77 -0.29 0.00 0.00 176.35 175.51 1c3v h SER 529 N 12.66 0.00 -4.76 3.68 4.64 -1.14 -3.47 113.55 125.17 1c3v h SER 529 Ca -0.27 0.00 -0.14 0.00 -0.47 0.00 0.00 61.79 60.91 1c3v h SER 529 Cb 1.11 0.00 -0.21 0.00 -0.31 0.00 0.00 62.40 62.99 1c3v h SER 529 CO 1.23 0.55 -0.44 0.00 -0.87 0.00 0.00 176.83 177.29 1c3v s ALA 530 N -2.95 -0.46 -0.43 5.18 0.00 -1.23 -4.57 121.76 117.30 1c3v s ALA 530 Ca -0.03 0.10 0.10 0.00 0.00 0.00 0.00 51.96 52.13 1c3v s ALA 530 Cb 0.09 0.02 0.35 0.00 0.00 0.00 0.00 23.12 23.57 1c3v s ALA 530 CO 0.81 -0.20 0.80 0.39 0.00 0.00 0.00 175.76 177.56 1c3v n GLU 531 N 1.70 1.63 -1.87 0.00 1.02 -1.26 -1.19 120.64 120.67 1c3v n GLU 531 Ca -0.21 -3.80 -0.35 0.00 -0.02 0.00 0.00 57.16 52.78 1c3v n GLU 531 Cb 0.56 -1.85 0.05 0.00 -0.02 0.00 0.00 31.44 30.17 1c3v n GLU 531 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 1c3v s LEU 532 N -2.75 3.57 0.00 -4.62 1.02 -0.90 -4.75 118.68 110.25 1c3v s LEU 532 Ca 0.42 2.34 0.04 0.00 0.02 0.00 0.00 54.13 56.95 1c3v s LEU 532 Cb 0.33 -4.59 -0.01 0.00 0.02 0.00 0.00 46.19 41.94 1c3v s LEU 532 CO -0.10 -1.73 0.19 -0.67 0.02 0.00 0.00 176.35 174.06 1c3v n ASP 533 N -1.90 -0.48 -4.68 2.29 4.64 -1.26 -1.50 116.55 113.66 1c3v n ASP 533 Ca 0.13 -2.26 -0.42 0.00 -1.38 0.00 0.00 54.79 50.86 1c3v n ASP 533 Cb 0.50 1.07 -0.03 0.00 -1.04 0.00 0.00 41.12 41.62 1c3v n ASP 533 CO 0.00 0.00 0.00 0.00 -0.82 0.00 0.00 177.20 176.38 1c3v s ALA 534 N -2.71 3.70 0.00 -1.67 0.00 -1.26 -2.64 121.76 117.18 1c3v s ALA 534 Ca 0.22 1.38 0.00 0.00 0.00 0.00 0.00 51.96 53.56 1c3v s ALA 534 Cb 0.01 -3.78 0.00 0.00 0.00 0.00 0.00 23.12 19.35 1c3v s ALA 534 CO 0.16 -1.32 0.00 0.41 0.00 0.00 0.00 175.76 175.00 1c3v n GLY 535 N 4.30 3.02 3.61 0.00 0.00 -1.26 -5.04 105.19 109.83 1c3v n GLY 535 Ca 0.18 -0.82 -0.48 0.00 0.00 0.00 0.00 46.02 44.90 1c3v n GLY 535 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1c3v n ASP 536 N 1.44 1.80 -4.74 1.61 9.92 -1.08 -4.88 116.55 120.62 1c3v n ASP 536 Ca 0.00 1.14 -0.42 0.00 -0.53 0.00 0.00 54.79 54.98 1c3v n ASP 536 Cb 0.00 -1.28 -0.02 0.00 -0.64 0.00 0.00 41.12 39.18 1c3v n ASP 536 CO 0.00 0.00 0.00 -2.16 0.13 0.00 0.00 177.20 175.17 1c3v s PRO 537 N -0.29 4.16 0.16 -0.24 0.04 -1.26 -4.77 135.00 132.80 1c3v s PRO 537 Ca 0.73 2.52 0.13 0.00 0.04 0.00 0.00 61.00 64.41 1c3v s PRO 537 Cb -0.80 -3.07 0.66 0.00 0.04 0.00 0.00 34.50 31.33 1c3v s PRO 537 CO 0.51 -0.63 1.40 1.28 0.04 0.00 0.00 177.00 179.60 1c3v n LEU 538 N 2.88 0.31 0.27 -3.56 4.77 -1.26 -1.19 117.00 119.22 1c3v n LEU 538 Ca 0.11 0.63 0.16 0.00 -0.03 0.00 0.00 56.01 56.88 1c3v n LEU 538 Cb 0.37 -0.65 0.62 0.00 -2.33 0.00 0.00 43.42 41.43 1c3v n LEU 538 CO 0.63 -0.68 0.97 0.28 -1.33 0.00 0.00 177.39 177.26 1c3v h SER 539 N 0.00 0.00 -0.05 -1.43 0.02 -2.01 -2.85 113.55 107.24 1c3v h SER 539 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1c3v h SER 539 Cb 0.06 0.00 -0.00 0.00 0.14 0.00 0.00 62.40 62.60 1c3v h SER 539 CO 0.00 0.01 0.03 -0.07 -1.14 0.00 0.00 176.83 175.66 1c3v h LEU 540 N 0.00 0.04 0.20 5.07 3.38 -1.53 -1.37 115.31 121.10 1c3v h LEU 540 Ca -0.00 -0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1c3v h LEU 540 Cb 0.58 -0.01 0.00 0.00 0.09 0.00 0.00 40.66 41.32 1c3v h LEU 540 CO 0.00 0.03 -0.10 -0.07 0.09 0.00 0.00 178.44 178.39 1c3v h LEU 541 N 0.05 -0.23 -1.91 1.67 3.38 -1.71 -2.58 115.31 113.98 1c3v h LEU 541 Ca 0.02 -0.20 0.00 0.00 0.09 0.00 0.00 57.88 57.79 1c3v h LEU 541 Cb 0.02 0.06 0.00 0.00 0.09 0.00 0.00 40.66 40.83 1c3v h LEU 541 CO -0.00 0.08 0.00 0.71 0.09 0.00 0.00 178.44 179.32 1c3v h THR 542 N -0.55 0.00 -0.02 0.22 1.35 -1.57 -2.59 112.91 109.75 1c3v h THR 542 Ca -0.03 -0.16 -0.02 0.00 -0.55 0.00 0.00 66.41 65.65 1c3v h THR 542 Cb 0.41 1.00 0.00 0.00 -1.73 0.00 0.00 68.15 67.84 1c3v h THR 542 CO 0.05 0.00 -0.08 -0.78 -0.25 0.00 0.00 175.52 174.46 1c3v h ASP 543 N 0.00 0.10 -0.09 5.36 1.82 -0.98 -3.18 116.42 119.44 1c3v h ASP 543 Ca 0.00 -0.66 0.00 0.00 -0.39 0.00 0.00 57.03 55.98 1c3v h ASP 543 Cb 0.18 -0.03 0.00 0.00 0.68 0.00 0.00 39.33 40.16 1c3v h ASP 543 CO 0.00 0.74 0.00 0.61 -1.61 0.00 0.00 179.24 178.98 1c3v n GLY 544 N 0.70 -0.47 3.71 -0.78 0.00 -1.00 -4.91 105.19 102.44 1c3v n GLY 544 Ca -0.09 -0.19 -0.24 0.00 0.00 0.00 0.00 46.02 45.51 1c3v n GLY 544 CO 0.00 0.00 0.00 -2.01 0.00 0.00 0.00 173.32 171.31 1c3v n ASN 545 N -0.27 -3.26 -4.77 1.61 2.85 -1.04 -4.89 115.26 105.49 1c3v n ASN 545 Ca 0.10 -0.73 -0.40 0.00 -0.11 0.00 0.00 54.58 53.44 1c3v n ASN 545 Cb 0.14 -4.33 -0.00 0.00 1.24 0.00 0.00 39.78 36.82 1c3v n ASN 545 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1c3v s THR 546 N -3.45 2.49 -0.04 -0.44 2.01 -1.01 -4.82 115.64 110.38 1c3v s THR 546 Ca 0.30 0.45 0.08 0.00 0.31 0.00 0.00 61.69 62.83 1c3v s THR 546 Cb -0.14 -3.27 -0.11 0.00 0.01 0.00 0.00 72.50 68.98 1c3v s THR 546 CO 0.79 0.08 0.10 -1.84 -0.69 0.00 0.00 174.62 173.06 1c3v n GLU 547 N 0.22 1.53 -3.85 4.92 0.28 -0.96 -4.84 120.64 117.95 1c3v n GLU 547 Ca 0.03 -0.04 -0.12 0.00 -0.16 0.00 0.00 57.16 56.87 1c3v n GLU 547 Cb 0.43 -1.20 -0.14 0.00 1.43 0.00 0.00 31.44 31.96 1c3v n GLU 547 CO 0.00 0.00 0.00 0.08 -0.16 0.00 0.00 177.13 177.05 1c3v s VAL 548 N -2.38 -0.00 -0.01 3.84 1.01 -1.16 -0.31 120.40 121.40 1c3v s VAL 548 Ca -0.03 0.00 0.04 0.00 0.00 0.00 0.00 61.98 61.99 1c3v s VAL 548 Cb 0.04 -0.08 -0.01 0.00 0.00 0.00 0.00 36.38 36.33 1c3v s VAL 548 CO 0.33 0.00 -0.12 0.54 0.00 0.00 0.00 175.10 175.86 1c3v s VAL 549 N 0.05 0.92 -0.30 2.92 0.11 -0.41 -1.56 120.40 122.13 1c3v s VAL 549 Ca -0.00 -0.52 -0.12 0.00 -2.93 0.00 0.00 61.98 58.41 1c3v s VAL 549 Cb -0.01 -0.77 -0.04 0.00 -1.53 0.00 0.00 36.38 34.03 1c3v s VAL 549 CO -0.00 0.25 0.21 -0.63 -3.33 0.00 0.00 175.10 171.60 1c3v s ILE 550 N -0.30 5.30 -0.31 7.04 1.01 -0.33 -1.07 121.20 132.54 1c3v s ILE 550 Ca 0.04 0.06 -0.09 0.00 0.00 0.00 0.00 60.65 60.66 1c3v s ILE 550 Cb -0.05 -3.60 -0.00 0.00 0.01 0.00 0.00 42.46 38.82 1c3v s ILE 550 CO -0.00 0.16 0.13 -0.62 0.00 0.00 0.00 174.94 174.61 1c3v s ASP 551 N 1.75 5.44 -0.41 3.58 -1.08 -0.02 -0.52 116.67 125.41 1c3v s ASP 551 Ca 0.07 -0.58 0.10 0.00 -0.52 0.00 0.00 52.55 51.62 1c3v s ASP 551 Cb -0.16 -1.97 0.33 0.00 -1.46 0.00 0.00 42.92 39.65 1c3v s ASP 551 CO 0.11 -0.20 0.72 0.49 0.52 0.00 0.00 175.17 176.81 1c3v n PHE 552 N 4.95 0.65 0.00 -5.34 3.01 -0.94 0.02 117.46 119.82 1c3v n PHE 552 Ca -0.14 -3.81 0.00 0.00 1.01 0.00 0.00 57.45 54.51 1c3v n PHE 552 Cb 0.49 -0.42 0.00 0.00 -0.01 0.00 0.00 39.48 39.54 1c3v n PHE 552 CO 0.00 0.00 0.00 0.25 1.01 0.00 0.00 176.76 178.02 1c3v n THR 553 N 0.43 0.00 -3.81 4.37 -2.24 -1.26 -4.63 114.28 107.15 1c3v n THR 553 Ca 0.25 0.00 -0.12 0.00 -2.27 0.00 0.00 64.05 61.91 1c3v n THR 553 Cb 0.60 0.00 -0.12 0.00 -2.10 0.00 0.00 70.33 68.71 1c3v n THR 553 CO 0.00 0.00 0.00 -2.28 -0.57 0.00 0.00 175.07 172.22 1c3v s HIS 554 N 2.34 -0.18 0.65 4.78 2.46 -1.26 -4.95 115.29 119.12 1c3v s HIS 554 Ca 0.00 0.44 0.29 0.00 0.47 0.00 0.00 55.06 56.26 1c3v s HIS 554 Cb 0.00 0.06 1.58 0.00 -0.13 0.00 0.00 32.58 34.09 1c3v s HIS 554 CO 0.00 -0.11 1.91 -1.00 -2.47 0.00 0.00 174.74 173.07 1c3v h PRO 555 N 5.73 0.00 0.00 2.88 0.13 -1.93 -0.24 132.00 138.57 1c3v h PRO 555 Ca -0.26 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.87 1c3v h PRO 555 Cb 1.20 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.33 1c3v h PRO 555 CO 0.40 0.00 0.00 -0.25 -0.23 0.00 0.00 178.00 177.92 1c3v n ASP 556 N -3.06 0.23 0.00 1.44 8.00 -1.26 -3.91 116.55 117.99 1c3v n ASP 556 Ca -0.00 0.53 0.00 0.00 0.71 0.00 0.00 54.79 56.03 1c3v n ASP 556 Cb 0.44 -0.59 0.00 0.00 -0.02 0.00 0.00 41.12 40.95 1c3v n ASP 556 CO 0.00 0.00 0.00 1.33 -0.39 0.00 0.00 177.20 178.14 1c3v n VAL 557 N -1.72 0.00 -0.09 2.53 0.24 -0.15 -4.80 118.33 114.33 1c3v n VAL 557 Ca 0.06 -0.07 -0.12 0.00 -2.04 0.00 0.00 64.34 62.18 1c3v n VAL 557 Cb 0.33 0.52 -0.06 0.00 -1.47 0.00 0.00 33.84 33.16 1c3v n VAL 557 CO 0.00 0.00 0.00 0.58 -2.14 0.00 0.00 176.83 175.27 1c3v h VAL 558 N 0.00 0.09 -0.99 3.34 2.07 -1.54 0.72 116.25 119.93 1c3v h VAL 558 Ca 0.00 0.00 0.21 0.00 0.82 0.00 0.00 66.70 67.73 1c3v h VAL 558 Cb 0.00 0.09 -0.10 0.00 -1.52 0.00 0.00 31.29 29.76 1c3v h VAL 558 CO 0.00 0.00 0.62 0.24 0.02 0.00 0.00 177.57 178.45 1c3v h MET 559 N -0.40 0.61 0.71 1.57 2.86 -1.88 0.20 114.93 118.61 1c3v h MET 559 Ca 0.11 -0.04 -0.03 0.00 -2.06 0.00 0.00 59.70 57.67 1c3v h MET 559 Cb 0.61 -0.14 0.01 0.00 0.06 0.00 0.00 31.60 32.13 1c3v h MET 559 CO -0.53 0.40 -0.34 0.78 1.06 0.00 0.00 176.91 178.28 1c3v h GLY 560 N 0.63 -0.99 1.00 8.32 0.00 -1.21 -2.88 103.07 107.94 1c3v h GLY 560 Ca 0.57 0.37 -0.00 0.00 0.00 0.00 0.00 47.33 48.26 1c3v h GLY 560 CO -0.34 -0.36 0.41 3.43 0.00 0.00 0.00 176.54 179.68 1c3v h ASN 561 N -1.05 0.82 -0.74 0.19 -0.26 -0.52 -2.52 115.58 111.51 1c3v h ASN 561 Ca -0.10 -0.06 0.17 0.00 -0.56 0.00 0.00 56.30 55.75 1c3v h ASN 561 Cb 0.75 -0.21 -0.04 0.00 -1.06 0.00 0.00 38.32 37.76 1c3v h ASN 561 CO 0.16 0.65 0.51 -0.07 -1.06 0.00 0.00 177.43 177.61 1c3v h LEU 562 N 0.93 0.24 0.01 1.61 3.38 -0.63 -0.35 115.31 120.50 1c3v h LEU 562 Ca 0.25 0.02 -0.00 0.00 0.09 0.00 0.00 57.88 58.23 1c3v h LEU 562 Cb -0.03 -0.03 0.00 0.00 0.09 0.00 0.00 40.66 40.69 1c3v h LEU 562 CO -0.05 0.11 -0.00 -0.33 0.09 0.00 0.00 178.44 178.26 1c3v h GLU 563 N 0.25 -0.01 0.19 1.13 5.08 -1.23 -2.22 114.58 117.77 1c3v h GLU 563 Ca 0.36 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 58.73 1c3v h GLU 563 Cb 1.06 0.00 -0.02 0.00 0.50 0.00 0.00 28.75 30.29 1c3v h GLU 563 CO -0.08 0.44 -0.24 0.35 -1.00 0.00 0.00 179.01 178.47 1c3v h PHE 564 N -0.47 -0.64 -0.01 4.33 3.57 -1.25 -1.85 116.94 120.62 1c3v h PHE 564 Ca -0.00 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.54 1c3v h PHE 564 Cb 0.46 0.26 -0.04 0.00 2.79 0.00 0.00 35.95 39.41 1c3v h PHE 564 CO 0.08 -0.35 -0.24 -0.07 -2.23 0.00 0.00 178.31 175.50 1c3v h LEU 565 N -0.49 -0.71 -2.52 0.59 3.38 -1.17 -1.58 115.31 112.82 1c3v h LEU 565 Ca 0.01 0.10 0.01 0.00 0.09 0.00 0.00 57.88 58.08 1c3v h LEU 565 Cb 0.47 0.29 -0.00 0.00 0.09 0.00 0.00 40.66 41.52 1c3v h LEU 565 CO -0.09 -0.30 0.03 0.40 0.09 0.00 0.00 178.44 178.56 1c3v h ILE 566 N -0.36 0.44 0.09 1.22 2.04 -1.31 -0.96 117.51 118.67 1c3v h ILE 566 Ca 0.07 0.00 -0.00 0.00 1.00 0.00 0.00 64.86 65.92 1c3v h ILE 566 Cb 0.45 0.98 0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1c3v h ILE 566 CO -0.22 0.00 -0.05 0.44 0.00 0.00 0.00 178.15 178.32 1c3v h ASP 567 N 0.00 -0.11 0.00 1.72 3.45 -0.43 -3.27 116.42 117.78 1c3v h ASP 567 Ca 0.01 -0.47 0.00 0.00 0.43 0.00 0.00 57.03 57.00 1c3v h ASP 567 Cb 0.07 0.03 0.00 0.00 -0.56 0.00 0.00 39.33 38.86 1c3v h ASP 567 CO -0.00 0.54 0.00 0.59 -1.57 0.00 0.00 179.24 178.80 1c3v n ASN 568 N -4.83 0.07 -0.98 6.45 4.13 -0.87 -4.84 115.26 114.38 1c3v n ASN 568 Ca -0.07 -1.63 -0.13 0.00 1.68 0.00 0.00 54.58 54.43 1c3v n ASN 568 Cb 0.28 -0.03 -0.06 0.00 -1.54 0.00 0.00 39.78 38.43 1c3v n ASN 568 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 1c3v n GLY 569 N 0.30 1.35 3.72 7.41 0.00 -0.99 -4.99 105.19 111.99 1c3v n GLY 569 Ca 0.00 -0.33 -0.41 0.00 0.00 0.00 0.00 46.02 45.28 1c3v n GLY 569 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c3v s ILE 570 N -2.42 4.84 0.53 -0.61 1.01 -0.40 -4.84 121.20 119.31 1c3v s ILE 570 Ca 0.00 1.78 -0.19 0.00 0.00 0.00 0.00 60.65 62.24 1c3v s ILE 570 Cb 0.00 -4.19 -0.06 0.00 0.01 0.00 0.00 42.46 38.22 1c3v s ILE 570 CO 0.00 0.26 1.07 -1.00 0.00 0.00 0.00 174.94 175.27 1c3v s HIS 571 N 0.56 2.88 -0.03 3.97 3.76 0.58 -4.22 115.29 122.79 1c3v s HIS 571 Ca 0.44 1.55 0.01 0.00 -0.15 0.00 0.00 55.06 56.91 1c3v s HIS 571 Cb -0.20 -3.13 0.02 0.00 1.11 0.00 0.00 32.58 30.38 1c3v s HIS 571 CO 0.24 -1.15 -0.02 0.00 -0.85 0.00 0.00 174.74 172.96 1c3v s ALA 572 N -2.03 0.40 -0.38 -1.40 0.00 -0.70 -1.28 121.76 116.37 1c3v s ALA 572 Ca 0.68 0.06 -0.01 0.00 0.00 0.00 0.00 51.96 52.69 1c3v s ALA 572 Cb -0.19 -0.30 0.10 0.00 0.00 0.00 0.00 23.12 22.74 1c3v s ALA 572 CO 0.26 -0.03 0.14 0.08 0.00 0.00 0.00 175.76 176.22 1c3v s VAL 573 N 0.79 2.98 -0.20 0.00 1.01 -0.23 0.44 120.40 125.19 1c3v s VAL 573 Ca -0.09 -2.06 -0.10 0.00 0.00 0.00 0.00 61.98 59.74 1c3v s VAL 573 Cb -0.12 -3.04 -0.05 0.00 0.00 0.00 0.00 36.38 33.17 1c3v s VAL 573 CO -0.01 -0.60 0.12 -0.69 0.00 0.00 0.00 175.10 173.92 1c3v s VAL 574 N 1.09 5.29 -0.24 2.92 1.01 0.86 -0.84 120.40 130.49 1c3v s VAL 574 Ca 0.07 0.15 0.11 0.00 0.00 0.00 0.00 61.98 62.32 1c3v s VAL 574 Cb -0.21 -3.42 -0.15 0.00 0.00 0.00 0.00 36.38 32.59 1c3v s VAL 574 CO -0.05 0.43 0.35 0.61 0.00 0.00 0.00 175.10 176.44 1c3v n GLY 575 N 3.67 -0.31 3.68 4.51 0.00 0.10 -2.46 105.19 114.37 1c3v n GLY 575 Ca -0.16 -0.29 -0.45 0.00 0.00 0.00 0.00 46.02 45.12 1c3v n GLY 575 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1c3v n THR 576 N -1.61 0.50 -1.23 2.61 -1.04 -1.10 -4.85 114.28 107.55 1c3v n THR 576 Ca -0.00 -0.09 -0.15 0.00 -2.04 0.00 0.00 64.05 61.77 1c3v n THR 576 Cb 0.24 -2.00 0.11 0.00 -1.82 0.00 0.00 70.33 66.86 1c3v n THR 576 CO 0.00 0.00 0.00 0.35 -0.64 0.00 0.00 175.07 174.78 1c3v n THR 577 N 4.91 0.00 -1.92 12.58 -2.24 -1.26 -4.67 114.28 121.67 1c3v n THR 577 Ca 0.20 -0.40 0.00 0.00 -2.27 0.00 0.00 64.05 61.58 1c3v n THR 577 Cb 0.34 -1.55 0.00 0.00 -2.10 0.00 0.00 70.33 67.02 1c3v n THR 577 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1c3v n GLY 578 N 0.14 0.70 3.49 3.38 0.00 -1.26 -4.28 105.19 107.35 1c3v n GLY 578 Ca 0.08 -0.72 -0.43 0.00 0.00 0.00 0.00 46.02 44.95 1c3v n GLY 578 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1c3v s PHE 579 N -2.31 3.07 0.38 1.61 0.40 -1.26 -4.98 117.98 114.89 1c3v s PHE 579 Ca 0.00 -0.29 0.02 0.00 -0.60 0.00 0.00 56.93 56.06 1c3v s PHE 579 Cb 0.00 -3.34 -0.01 0.00 0.51 0.00 0.00 43.02 40.18 1c3v s PHE 579 CO 0.00 -0.90 0.57 0.95 0.70 0.00 0.00 175.22 176.54 1c3v s THR 580 N 2.64 4.34 0.19 0.64 -4.23 -1.26 -4.91 115.64 113.05 1c3v s THR 580 Ca 0.18 -0.65 -0.17 0.00 -1.18 0.00 0.00 61.69 59.87 1c3v s THR 580 Cb -0.16 -3.57 0.15 0.00 1.34 0.00 0.00 72.50 70.26 1c3v s THR 580 CO 0.15 -0.34 1.64 0.00 -0.54 0.00 0.00 174.62 175.54 1c3v h ALA 581 N 0.65 0.25 -0.40 3.99 0.00 -1.98 0.18 119.26 121.95 1c3v h ALA 581 Ca -0.47 0.19 0.06 0.00 0.00 0.00 0.00 54.91 54.69 1c3v h ALA 581 Cb 1.24 0.45 -0.05 0.00 0.00 0.00 0.00 17.79 19.43 1c3v h ALA 581 CO 0.57 -0.49 0.07 1.05 0.00 0.00 0.00 179.25 180.45 1c3v h GLU 582 N -0.05 0.19 -0.19 0.00 9.09 -1.97 0.42 114.58 122.07 1c3v h GLU 582 Ca 0.24 -0.01 0.01 0.00 0.05 0.00 0.00 59.36 59.65 1c3v h GLU 582 Cb 0.42 -0.04 -0.01 0.00 -1.65 0.00 0.00 28.75 27.46 1c3v h GLU 582 CO -0.54 0.13 0.10 0.00 0.05 0.00 0.00 179.01 178.75 1c3v h ARG 583 N 0.20 0.21 -0.59 1.06 3.08 -1.58 0.61 114.38 117.37 1c3v h ARG 583 Ca 0.19 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.27 1c3v h ARG 583 Cb 0.24 -0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.20 1c3v h ARG 583 CO -0.26 0.14 0.34 0.74 -1.07 0.00 0.00 179.97 179.86 1c3v h PHE 584 N 0.22 0.64 -0.77 3.04 0.05 -0.08 0.17 116.94 120.20 1c3v h PHE 584 Ca 0.08 0.02 0.01 0.00 3.82 0.00 0.00 57.97 61.90 1c3v h PHE 584 Cb 0.01 -0.20 -0.04 0.00 2.00 0.00 0.00 35.95 37.72 1c3v h PHE 584 CO -0.09 0.34 0.51 1.96 -0.18 0.00 0.00 178.31 180.86 1c3v h GLN 585 N 0.66 1.01 0.58 1.51 1.08 0.45 0.46 115.11 120.87 1c3v h GLN 585 Ca 0.24 -0.06 -0.03 0.00 -1.45 0.00 0.00 58.65 57.36 1c3v h GLN 585 Cb 0.07 -0.23 0.01 0.00 -0.05 0.00 0.00 27.48 27.28 1c3v h GLN 585 CO -0.12 0.67 -0.28 1.96 -0.95 0.00 0.00 178.83 180.10 1c3v h GLN 586 N 1.04 -0.75 -0.49 1.46 4.20 0.20 0.16 115.11 120.92 1c3v h GLN 586 Ca 0.29 0.05 0.09 0.00 0.06 0.00 0.00 58.65 59.14 1c3v h GLN 586 Cb -0.10 0.17 -0.03 0.00 0.30 0.00 0.00 27.48 27.82 1c3v h GLN 586 CO -0.06 -0.47 0.33 0.28 -0.67 0.00 0.00 178.83 178.24 1c3v h VAL 587 N -0.86 0.89 0.62 -0.54 2.07 -0.04 -2.26 116.25 116.13 1c3v h VAL 587 Ca -0.08 -0.09 -0.03 0.00 0.82 0.00 0.00 66.70 67.32 1c3v h VAL 587 Cb 0.63 0.59 0.01 0.00 -1.52 0.00 0.00 31.29 31.00 1c3v h VAL 587 CO 0.13 0.05 -0.30 -0.33 0.02 0.00 0.00 177.57 177.14 1c3v h GLU 588 N 0.27 -0.80 0.00 1.57 4.39 0.51 -2.88 114.58 117.64 1c3v h GLU 588 Ca 0.23 0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.98 1c3v h GLU 588 Cb 0.54 0.18 0.00 0.00 -0.10 0.00 0.00 28.75 29.37 1c3v h GLU 588 CO -0.05 -0.49 0.00 0.43 -1.16 0.00 0.00 179.01 177.74 1c3v n SER 589 N -5.36 0.00 -0.03 1.42 7.64 0.50 -2.93 113.62 114.87 1c3v n SER 589 Ca -0.12 -0.33 -0.07 0.00 1.01 0.00 0.00 58.87 59.36 1c3v n SER 589 Cb 0.35 0.00 -0.02 0.00 -1.01 0.00 0.00 64.21 63.53 1c3v n SER 589 CO 0.00 0.00 0.00 0.79 -3.01 0.00 0.00 175.04 172.82 1c3v n TRP 590 N -0.56 0.00 -0.27 1.43 8.01 -1.12 -4.65 117.44 120.28 1c3v n TRP 590 Ca 0.00 0.00 0.24 0.00 -1.31 0.00 0.00 57.50 56.44 1c3v n TRP 590 Cb 0.00 -0.27 0.58 0.00 -2.01 0.00 0.00 31.31 29.61 1c3v n TRP 590 CO 0.00 0.00 0.00 -0.07 -1.01 0.00 0.00 177.69 176.61 1c3v h LEU 591 N -0.37 0.30 -0.17 -0.99 3.38 -1.39 -0.53 115.31 115.54 1c3v h LEU 591 Ca -0.13 0.04 0.04 0.00 0.09 0.00 0.00 57.88 57.92 1c3v h LEU 591 Cb 0.79 -0.01 -0.04 0.00 0.09 0.00 0.00 40.66 41.50 1c3v h LEU 591 CO -0.08 0.08 -0.06 -0.37 0.09 0.00 0.00 178.44 178.11 1c3v h VAL 592 N 0.28 0.79 0.00 1.22 -1.51 -1.83 -0.98 116.25 114.22 1c3v h VAL 592 Ca 0.52 0.00 0.00 0.00 -1.23 0.00 0.00 66.70 65.99 1c3v h VAL 592 Cb 1.54 0.79 0.00 0.00 -2.13 0.00 0.00 31.29 31.49 1c3v h VAL 592 CO -0.17 0.00 0.00 0.00 -1.23 0.00 0.00 177.57 176.17 1c3v n ALA 593 N -2.39 2.24 -2.67 5.19 0.00 -0.21 -3.80 120.51 118.87 1c3v n ALA 593 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 53.44 53.38 1c3v n ALA 593 Cb 0.13 -1.00 0.11 0.00 0.00 0.00 0.00 19.45 18.68 1c3v n ALA 593 CO 0.00 0.00 0.00 0.36 0.00 0.00 0.00 177.50 177.86 1c3v n LYS 594 N -0.00 0.21 -0.01 0.00 2.85 -0.59 -5.11 118.16 115.50 1c3v n LYS 594 Ca 0.00 -0.79 -0.01 0.00 -1.05 0.00 0.00 58.31 56.46 1c3v n LYS 594 Cb 0.17 -0.23 0.01 0.00 -0.65 0.00 0.00 35.03 34.33 1c3v n LYS 594 CO 0.00 0.00 0.00 -0.35 -0.05 0.00 0.00 177.40 177.00 1c3v n PRO 595 N 0.62 -1.57 -0.07 -1.58 -0.04 -0.48 -3.95 135.00 127.94 1c3v n PRO 595 Ca -0.04 -0.03 0.00 0.00 -0.04 0.00 0.00 63.50 63.38 1c3v n PRO 595 Cb 0.75 -0.04 0.00 0.00 -0.04 0.00 0.00 33.50 34.17 1c3v n PRO 595 CO 0.00 0.00 0.00 -1.71 -0.04 0.00 0.00 175.50 173.75 1c3v n ASN 596 N -3.05 0.00 -4.61 3.54 2.85 -1.26 -4.95 115.26 107.78 1c3v n ASN 596 Ca 0.00 0.00 -0.34 0.00 -0.11 0.00 0.00 54.58 54.13 1c3v n ASN 596 Cb 0.01 -0.47 -0.11 0.00 1.24 0.00 0.00 39.78 40.46 1c3v n ASN 596 CO 0.00 0.00 0.00 -0.89 -2.11 0.00 0.00 177.26 174.26 1c3v s THR 597 N -2.46 4.11 0.01 -0.44 2.01 -1.25 -5.00 115.64 112.61 1c3v s THR 597 Ca 0.00 -0.31 0.05 0.00 0.31 0.00 0.00 61.69 61.74 1c3v s THR 597 Cb 0.00 -2.75 -0.03 0.00 0.01 0.00 0.00 72.50 69.73 1c3v s THR 597 CO 0.00 0.56 -0.12 -0.44 -0.69 0.00 0.00 174.62 173.93 1c3v s SER 598 N -0.43 4.25 -0.04 3.53 0.01 -1.26 -2.06 113.70 117.70 1c3v s SER 598 Ca 0.07 -0.26 -0.02 0.00 1.31 0.00 0.00 55.95 57.06 1c3v s SER 598 Cb -0.12 -0.88 0.03 0.00 0.21 0.00 0.00 66.02 65.26 1c3v s SER 598 CO 0.02 0.28 0.06 -0.69 0.41 0.00 0.00 173.24 173.32 1c3v s VAL 599 N -0.94 -0.10 -0.12 3.43 1.01 0.15 -1.72 120.40 122.10 1c3v s VAL 599 Ca 0.16 0.35 0.02 0.00 0.00 0.00 0.00 61.98 62.51 1c3v s VAL 599 Cb -0.11 -0.14 -0.00 0.00 0.00 0.00 0.00 36.38 36.13 1c3v s VAL 599 CO 0.06 0.15 -0.21 -0.22 0.00 0.00 0.00 175.10 174.88 1c3v s LEU 600 N 1.81 2.25 -0.09 3.92 0.20 0.17 -2.73 118.68 124.21 1c3v s LEU 600 Ca 0.00 -0.52 0.04 0.00 0.69 0.00 0.00 54.13 54.34 1c3v s LEU 600 Cb -0.12 -1.47 0.00 0.00 -0.43 0.00 0.00 46.19 44.17 1c3v s LEU 600 CO -0.03 0.13 -0.22 -0.63 -0.29 0.00 0.00 176.35 175.31 1c3v s ILE 601 N 0.51 1.90 -0.02 6.68 1.01 -1.26 -0.10 121.20 129.92 1c3v s ILE 601 Ca -0.13 -0.93 -0.00 0.00 0.00 0.00 0.00 60.65 59.59 1c3v s ILE 601 Cb -0.17 -1.65 0.02 0.00 0.01 0.00 0.00 42.46 40.68 1c3v s ILE 601 CO 0.05 0.52 0.03 0.00 0.00 0.00 0.00 174.94 175.54 1c3v s ALA 602 N 0.37 0.04 0.18 9.38 0.00 -1.03 0.17 121.76 130.87 1c3v s ALA 602 Ca -0.17 0.26 0.35 0.00 0.00 0.00 0.00 51.96 52.40 1c3v s ALA 602 Cb -0.17 -0.21 1.55 0.00 0.00 0.00 0.00 23.12 24.29 1c3v s ALA 602 CO 0.08 -0.09 2.04 -1.00 0.00 0.00 0.00 175.76 176.79 1c3v h PRO 603 N 7.03 0.00 -2.01 0.00 0.13 -1.88 -3.42 132.00 131.84 1c3v h PRO 603 Ca -0.41 0.00 0.02 0.00 -0.87 0.00 0.00 66.00 64.74 1c3v h PRO 603 Cb 1.14 0.00 -0.21 0.00 0.13 0.00 0.00 31.00 32.06 1c3v h PRO 603 CO 0.48 0.00 0.01 1.21 -0.23 0.00 0.00 178.00 179.47 1c3v s ASN 604 N -5.50 -0.95 0.00 1.44 3.84 -1.26 -4.49 114.94 108.02 1c3v s ASN 604 Ca 0.00 1.51 0.24 0.00 0.21 0.00 0.00 52.86 54.82 1c3v s ASN 604 Cb 0.10 1.41 0.23 0.00 -0.55 0.00 0.00 41.25 42.43 1c3v s ASN 604 CO 0.51 -0.24 1.25 0.49 -2.79 0.00 0.00 177.10 176.32 1c3v n PHE 605 N 4.35 0.00 -2.47 0.43 3.01 -1.26 -4.75 117.46 116.78 1c3v n PHE 605 Ca -0.20 0.00 -0.42 0.00 1.01 0.00 0.00 57.45 57.84 1c3v n PHE 605 Cb 0.59 -0.01 -0.03 0.00 -0.01 0.00 0.00 39.48 40.01 1c3v n PHE 605 CO 0.00 0.00 0.00 0.00 1.01 0.00 0.00 176.76 177.77 1c3v s ALA 606 N -2.30 3.36 0.19 4.37 0.00 -1.26 -3.76 121.76 122.36 1c3v s ALA 606 Ca 0.24 0.80 -0.11 0.00 0.00 0.00 0.00 51.96 52.89 1c3v s ALA 606 Cb 0.19 -3.43 0.12 0.00 0.00 0.00 0.00 23.12 20.00 1c3v s ALA 606 CO 0.46 -0.40 1.80 0.97 0.00 0.00 0.00 175.76 178.60 1c3v h ILE 607 N 4.54 1.22 -0.75 0.00 6.09 -1.91 -2.41 117.51 124.28 1c3v h ILE 607 Ca -0.42 -0.56 0.04 0.00 -1.37 0.00 0.00 64.86 62.56 1c3v h ILE 607 Cb 1.21 0.33 -0.04 0.00 0.47 0.00 0.00 36.82 38.79 1c3v h ILE 607 CO 0.80 0.24 0.49 1.23 -3.07 0.00 0.00 178.15 177.84 1c3v h GLY 608 N 0.95 1.04 0.78 8.18 0.00 -1.95 0.13 103.07 112.19 1c3v h GLY 608 Ca 0.24 -0.35 -0.03 0.00 0.00 0.00 0.00 47.33 47.19 1c3v h GLY 608 CO -0.04 0.30 -0.02 0.00 0.00 0.00 0.00 176.54 176.78 1c3v h ALA 609 N 1.57 0.23 -0.82 3.60 0.00 -1.87 -0.15 119.26 121.82 1c3v h ALA 609 Ca 0.30 -0.22 0.03 0.00 0.00 0.00 0.00 54.91 55.02 1c3v h ALA 609 Cb 0.09 -0.06 -0.05 0.00 0.00 0.00 0.00 17.79 17.77 1c3v h ALA 609 CO -0.09 -0.04 0.53 0.28 0.00 0.00 0.00 179.25 179.93 1c3v h VAL 610 N 0.03 1.15 -0.53 0.00 2.07 -0.92 -1.52 116.25 116.54 1c3v h VAL 610 Ca 0.04 -0.36 -0.07 0.00 0.82 0.00 0.00 66.70 67.13 1c3v h VAL 610 Cb 0.43 0.01 -0.02 0.00 -1.52 0.00 0.00 31.29 30.19 1c3v h VAL 610 CO 0.01 0.19 0.03 -0.07 0.02 0.00 0.00 177.57 177.75 1c3v h LEU 611 N 1.04 0.83 -0.50 2.57 3.38 -0.86 -2.04 115.31 119.75 1c3v h LEU 611 Ca 0.32 -0.20 0.02 0.00 0.09 0.00 0.00 57.88 58.11 1c3v h LEU 611 Cb -0.02 -0.22 -0.03 0.00 0.09 0.00 0.00 40.66 40.47 1c3v h LEU 611 CO -0.10 0.88 0.30 0.28 0.09 0.00 0.00 178.44 179.89 1c3v h SER 612 N 0.81 0.49 -0.10 -0.43 0.02 -0.04 0.19 113.55 114.50 1c3v h SER 612 Ca 0.16 0.00 -0.07 0.00 -0.84 0.00 0.00 61.79 61.04 1c3v h SER 612 Cb 0.44 -0.10 -0.02 0.00 0.14 0.00 0.00 62.40 62.86 1c3v h SER 612 CO 0.02 0.35 -0.13 0.24 -1.14 0.00 0.00 176.83 176.16 1c3v h MET 613 N 0.60 0.45 -0.06 3.45 2.86 -1.16 -0.13 114.93 120.94 1c3v h MET 613 Ca 0.20 -0.13 -0.01 0.00 -2.06 0.00 0.00 59.70 57.70 1c3v h MET 613 Cb 0.01 -0.05 -0.00 0.00 0.06 0.00 0.00 31.60 31.61 1c3v h MET 613 CO -0.08 0.58 0.01 1.25 1.06 0.00 0.00 176.91 179.73 1c3v h HIS 614 N 0.42 0.11 -0.40 -0.22 6.17 -0.59 -2.65 115.15 118.00 1c3v h HIS 614 Ca 0.08 -0.01 -0.15 0.00 0.71 0.00 0.00 60.37 61.00 1c3v h HIS 614 Cb 0.48 -0.03 -0.01 0.00 2.52 0.00 0.00 27.41 30.37 1c3v h HIS 614 CO 0.01 0.32 -0.33 0.74 0.71 0.00 0.00 177.93 179.38 1c3v h PHE 615 N -0.13 1.06 -0.61 5.26 0.05 -0.81 -3.09 116.94 118.67 1c3v h PHE 615 Ca 0.02 -0.29 0.07 0.00 3.82 0.00 0.00 57.97 61.59 1c3v h PHE 615 Cb 0.26 -0.23 -0.06 0.00 2.00 0.00 0.00 35.95 37.92 1c3v h PHE 615 CO 0.01 1.10 0.29 0.00 -0.18 0.00 0.00 178.31 179.53 1c3v h ALA 616 N 0.87 0.80 -0.67 2.45 0.00 -1.00 -1.00 119.26 120.72 1c3v h ALA 616 Ca 0.08 0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.07 1c3v h ALA 616 Cb 0.90 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.60 1c3v h ALA 616 CO 0.08 -0.08 0.40 0.87 0.00 0.00 0.00 179.25 180.53 1c3v h LYS 617 N 0.54 0.75 -0.08 0.00 1.79 -1.42 -2.04 116.57 116.11 1c3v h LYS 617 Ca 0.29 -0.05 -0.14 0.00 -2.18 0.00 0.00 60.65 58.57 1c3v h LYS 617 Cb 0.25 -0.17 -0.01 0.00 -1.58 0.00 0.00 32.23 30.72 1c3v h LYS 617 CO -0.22 0.50 -0.58 1.96 -1.08 0.00 0.00 179.45 180.02 1c3v h GLN 618 N 0.77 0.25 0.00 3.15 4.20 -1.26 -3.31 115.11 118.91 1c3v h GLN 618 Ca 0.28 -0.17 -0.03 0.00 0.06 0.00 0.00 58.65 58.79 1c3v h GLN 618 Cb 0.07 0.02 -0.01 0.00 0.30 0.00 0.00 27.48 27.87 1c3v h GLN 618 CO -0.13 0.76 -0.97 0.00 -0.67 0.00 0.00 178.83 177.82 1c3v h ALA 619 N 1.20 0.57 -0.70 3.87 0.00 -1.02 -3.41 119.26 119.77 1c3v h ALA 619 Ca -0.00 -0.15 0.14 0.00 0.00 0.00 0.00 54.91 54.89 1c3v h ALA 619 Cb 1.08 0.04 -0.13 0.00 0.00 0.00 0.00 17.79 18.78 1c3v h ALA 619 CO 0.09 0.16 -0.22 0.00 0.00 0.00 0.00 179.25 179.29 1c3v h ALA 620 N 1.89 0.37 0.00 0.00 0.00 -1.46 -1.82 119.26 118.24 1c3v h ALA 620 Ca -0.03 0.26 -0.01 0.00 0.00 0.00 0.00 54.91 55.13 1c3v h ALA 620 Cb 1.10 0.60 -0.00 0.00 0.00 0.00 0.00 17.79 19.50 1c3v h ALA 620 CO 0.01 -0.47 -0.03 0.00 0.00 0.00 0.00 179.25 178.76 1c3v h ARG 621 N -0.03 0.00 -0.00 0.00 3.08 -1.81 -2.84 114.38 112.77 1c3v h ARG 621 Ca 0.32 0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.37 1c3v h ARG 621 Cb 0.53 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.58 1c3v h ARG 621 CO -0.74 0.03 -0.00 1.19 -1.07 0.00 0.00 179.97 179.38 1c3v n PHE 622 N -4.09 0.00 -4.26 3.04 3.01 -0.68 -4.89 117.46 109.58 1c3v n PHE 622 Ca -0.03 0.00 -0.17 0.00 1.01 0.00 0.00 57.45 58.26 1c3v n PHE 622 Cb 0.12 -0.04 -0.11 0.00 -0.01 0.00 0.00 39.48 39.44 1c3v n PHE 622 CO 0.00 0.00 0.00 -0.06 1.01 0.00 0.00 176.76 177.71 1c3v s PHE 623 N -2.09 1.44 -0.06 1.38 0.40 -1.07 -4.98 117.98 113.00 1c3v s PHE 623 Ca 0.44 -0.59 -0.21 0.00 -0.60 0.00 0.00 56.93 55.97 1c3v s PHE 623 Cb 0.22 -0.73 -0.30 0.00 0.51 0.00 0.00 43.02 42.71 1c3v s PHE 623 CO 0.38 0.17 0.83 -0.44 0.70 0.00 0.00 175.22 176.86 1c3v h ASP 624 N 3.22 0.43 -3.60 1.36 3.32 -1.71 -3.47 116.42 115.96 1c3v h ASP 624 Ca -0.39 -0.93 -0.67 0.00 0.02 0.00 0.00 57.03 55.06 1c3v h ASP 624 Cb 1.20 -0.14 -0.16 0.00 0.22 0.00 0.00 39.33 40.44 1c3v h ASP 624 CO 0.55 1.41 -0.75 -0.44 -1.72 0.00 0.00 179.24 178.29 1c3v s SER 625 N -6.95 4.27 -0.18 6.45 0.01 -0.66 -4.32 113.70 112.33 1c3v s SER 625 Ca -0.15 -0.43 -0.09 0.00 1.31 0.00 0.00 55.95 56.59 1c3v s SER 625 Cb 0.01 -0.77 0.06 0.00 0.21 0.00 0.00 66.02 65.54 1c3v s SER 625 CO 0.81 0.18 0.43 0.00 0.41 0.00 0.00 173.24 175.07 1c3v s ALA 626 N -1.19 -1.11 0.04 1.44 0.00 -1.26 -1.03 121.76 118.65 1c3v s ALA 626 Ca 0.20 1.58 -0.05 0.00 0.00 0.00 0.00 51.96 53.70 1c3v s ALA 626 Cb -0.11 -0.99 -0.01 0.00 0.00 0.00 0.00 23.12 22.00 1c3v s ALA 626 CO 0.13 -0.32 0.08 -1.21 0.00 0.00 0.00 175.76 174.44 1c3v s GLU 627 N 1.52 0.59 -0.09 0.00 2.02 -0.39 -4.39 118.70 117.97 1c3v s GLU 627 Ca -0.09 -0.79 0.03 0.00 0.02 0.00 0.00 54.97 54.14 1c3v s GLU 627 Cb -0.09 0.23 0.01 0.00 0.10 0.00 0.00 34.13 34.38 1c3v s GLU 627 CO -0.13 -0.14 -0.20 0.08 0.02 0.00 0.00 175.26 174.89 1c3v s VAL 628 N -2.70 1.72 -0.16 2.63 1.01 -0.67 -0.97 120.40 121.27 1c3v s VAL 628 Ca -0.04 -0.82 -0.00 0.00 0.00 0.00 0.00 61.98 61.12 1c3v s VAL 628 Cb -0.01 -1.51 -0.00 0.00 0.00 0.00 0.00 36.38 34.86 1c3v s VAL 628 CO -0.05 0.49 -0.15 -0.63 0.00 0.00 0.00 175.10 174.76 1c3v s ILE 629 N 0.50 2.68 -0.04 2.22 1.01 0.01 -0.49 121.20 127.09 1c3v s ILE 629 Ca -0.16 -0.76 0.07 0.00 0.00 0.00 0.00 60.65 59.79 1c3v s ILE 629 Cb -0.17 -2.14 -0.01 0.00 0.01 0.00 0.00 42.46 40.15 1c3v s ILE 629 CO 0.06 0.51 -0.25 -0.70 0.00 0.00 0.00 174.94 174.56 1c3v s GLU 630 N 0.90 2.35 -0.07 2.79 -6.30 0.99 0.00 118.70 119.36 1c3v s GLU 630 Ca -0.04 -0.89 0.01 0.00 -2.50 0.00 0.00 54.97 51.55 1c3v s GLU 630 Cb -0.15 -2.07 0.02 0.00 0.00 0.00 0.00 34.13 31.93 1c3v s GLU 630 CO -0.01 0.43 -0.06 -0.51 0.02 0.00 0.00 175.26 175.12 1c3v s LEU 631 N -0.29 1.26 0.22 2.70 1.02 -0.14 0.15 118.68 123.59 1c3v s LEU 631 Ca 0.01 -0.20 -0.00 0.00 0.02 0.00 0.00 54.13 53.95 1c3v s LEU 631 Cb -0.12 -0.62 -0.04 0.00 0.02 0.00 0.00 46.19 45.42 1c3v s LEU 631 CO 0.02 -0.07 0.12 -1.00 0.02 0.00 0.00 176.35 175.44 1c3v s HIS 632 N 1.19 1.28 0.78 0.29 3.76 0.31 -0.79 115.29 122.11 1c3v s HIS 632 Ca -0.06 -1.31 -0.14 0.00 -0.15 0.00 0.00 55.06 53.40 1c3v s HIS 632 Cb -0.14 -0.67 0.07 0.00 1.11 0.00 0.00 32.58 32.95 1c3v s HIS 632 CO -0.02 -0.53 1.22 -3.38 -0.85 0.00 0.00 174.74 171.18 1c3v s HIS 633 N -4.02 1.86 -1.32 1.40 -3.43 -1.07 -1.38 115.29 107.32 1c3v s HIS 633 Ca 0.38 1.64 0.00 0.00 -0.80 0.00 0.00 55.06 56.28 1c3v s HIS 633 Cb 0.07 -3.52 0.00 0.00 -1.43 0.00 0.00 32.58 27.71 1c3v s HIS 633 CO 0.12 -2.85 0.49 -0.35 -2.00 0.00 0.00 174.74 170.15 1c3v n PRO 634 N -3.06 0.74 0.00 -0.38 -0.04 -1.24 -2.94 135.00 128.08 1c3v n PRO 634 Ca 0.14 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.67 1c3v n PRO 634 Cb 0.50 -1.25 0.04 0.00 -0.04 0.00 0.00 33.50 32.75 1c3v n PRO 634 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1c3v n HIS 635 N -0.07 0.00 -2.31 0.54 8.25 -1.26 -4.98 115.22 115.39 1c3v n HIS 635 Ca 0.00 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.04 1c3v n HIS 635 Cb 0.13 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.21 1c3v n HIS 635 CO 0.00 0.00 0.00 0.21 0.64 0.00 0.00 176.34 177.19 1c3v s LYS 636 N -1.40 4.40 0.05 -0.41 2.20 -1.15 -4.95 119.74 118.48 1c3v s LYS 636 Ca 0.15 1.92 0.09 0.00 -0.36 0.00 0.00 55.97 57.78 1c3v s LYS 636 Cb 0.12 -3.28 -0.22 0.00 -1.51 0.00 0.00 37.83 32.94 1c3v s LYS 636 CO 0.24 -0.29 1.01 0.00 -0.36 0.00 0.00 175.35 175.96 1c3v h ALA 637 N 6.37 0.53 -3.17 3.13 0.00 -1.93 -3.47 119.26 120.73 1c3v h ALA 637 Ca -0.43 -1.15 -0.68 0.00 0.00 0.00 0.00 54.91 52.65 1c3v h ALA 637 Cb 1.21 0.13 -0.13 0.00 0.00 0.00 0.00 17.79 19.00 1c3v h ALA 637 CO 0.81 1.40 -0.59 0.16 0.00 0.00 0.00 179.25 181.03 1c3v s ASP 638 N -6.44 5.49 -0.06 0.00 -4.77 -1.26 -5.10 116.67 104.52 1c3v s ASP 638 Ca -0.02 0.21 -0.02 0.00 -3.30 0.00 0.00 52.55 49.42 1c3v s ASP 638 Cb 0.09 -1.60 0.04 0.00 -1.09 0.00 0.00 42.92 40.36 1c3v s ASP 638 CO 0.82 0.38 0.12 0.00 0.70 0.00 0.00 175.17 177.19 1c3v s ALA 639 N -0.94 -0.12 0.89 2.11 0.00 -1.26 -4.25 121.76 118.18 1c3v s ALA 639 Ca 0.14 0.53 -0.14 0.00 0.00 0.00 0.00 51.96 52.49 1c3v s ALA 639 Cb -0.11 -0.55 0.14 0.00 0.00 0.00 0.00 23.12 22.59 1c3v s ALA 639 CO 0.04 -0.31 1.26 -1.25 0.00 0.00 0.00 175.76 175.49 1c3v s PRO 640 N 1.62 1.26 0.86 0.00 0.04 -1.26 -5.10 135.00 132.41 1c3v s PRO 640 Ca -0.04 -0.17 -0.12 0.00 0.04 0.00 0.00 61.00 60.72 1c3v s PRO 640 Cb -0.12 -1.90 0.11 0.00 0.04 0.00 0.00 34.50 32.64 1c3v s PRO 640 CO -0.05 -2.03 1.17 -1.54 0.04 0.00 0.00 177.00 174.59 1c3v s SER 641 N -4.75 3.27 0.22 6.66 1.04 -1.26 -4.83 113.70 114.05 1c3v s SER 641 Ca 0.68 2.27 -0.07 0.00 0.48 0.00 0.00 55.95 59.31 1c3v s SER 641 Cb -0.07 -2.58 0.18 0.00 0.10 0.00 0.00 66.02 63.66 1c3v s SER 641 CO 0.51 -2.88 1.80 1.23 0.98 0.00 0.00 173.24 174.89 1c3v h GLY 642 N -1.40 1.30 0.96 7.32 0.00 -1.91 -2.07 103.07 107.26 1c3v h GLY 642 Ca -0.45 -0.67 -0.03 0.00 0.00 0.00 0.00 47.33 46.19 1c3v h GLY 642 CO 0.44 0.64 0.18 -0.84 0.00 0.00 0.00 176.54 176.95 1c3v h THR 643 N 1.19 1.21 -0.26 4.70 2.02 -1.92 -1.13 112.91 118.72 1c3v h THR 643 Ca 0.28 -0.65 0.01 0.00 0.77 0.00 0.00 66.41 66.82 1c3v h THR 643 Cb 0.16 0.79 -0.02 0.00 -1.74 0.00 0.00 68.15 67.34 1c3v h THR 643 CO -0.03 0.24 0.16 0.00 0.37 0.00 0.00 175.52 176.26 1c3v h ALA 644 N 1.02 0.32 -0.83 6.16 0.00 -1.86 0.26 119.26 124.34 1c3v h ALA 644 Ca 0.15 -0.01 -0.02 0.00 0.00 0.00 0.00 54.91 55.03 1c3v h ALA 644 Cb 0.20 -0.08 -0.04 0.00 0.00 0.00 0.00 17.79 17.87 1c3v h ALA 644 CO -0.01 -0.23 0.45 0.00 0.00 0.00 0.00 179.25 179.46 1c3v h ALA 645 N 1.11 1.23 -0.34 0.00 0.00 -1.23 -0.07 119.26 119.95 1c3v h ALA 645 Ca 0.10 -0.13 -0.17 0.00 0.00 0.00 0.00 54.91 54.71 1c3v h ALA 645 Cb -0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.44 1c3v h ALA 645 CO -0.04 0.62 -0.45 -0.09 0.00 0.00 0.00 179.25 179.29 1c3v h ARG 646 N 1.16 0.89 -0.45 0.00 2.43 -0.65 -1.92 114.38 115.84 1c3v h ARG 646 Ca 0.29 -0.50 -0.05 0.00 -0.81 0.00 0.00 59.98 58.91 1c3v h ARG 646 Cb 0.04 0.03 -0.02 0.00 -0.42 0.00 0.00 29.97 29.60 1c3v h ARG 646 CO -0.05 1.15 0.10 1.15 -1.51 0.00 0.00 179.97 180.81 1c3v h THR 647 N 0.71 1.24 -0.72 0.20 2.02 -0.07 -1.18 112.91 115.10 1c3v h THR 647 Ca 0.04 -0.85 -0.01 0.00 0.77 0.00 0.00 66.41 66.36 1c3v h THR 647 Cb 1.05 0.92 -0.03 0.00 -1.74 0.00 0.00 68.15 68.35 1c3v h THR 647 CO 0.10 0.30 0.43 0.00 0.37 0.00 0.00 175.52 176.72 1c3v h ALA 648 N 0.96 0.92 -0.63 6.16 0.00 -0.97 -1.14 119.26 124.57 1c3v h ALA 648 Ca 0.14 -0.09 -0.03 0.00 0.00 0.00 0.00 54.91 54.93 1c3v h ALA 648 Cb 0.35 -0.29 -0.03 0.00 0.00 0.00 0.00 17.79 17.82 1c3v h ALA 648 CO 0.00 0.41 0.29 0.87 0.00 0.00 0.00 179.25 180.82 1c3v h LYS 649 N 0.99 0.92 -0.35 0.00 1.57 -1.08 -1.03 116.57 117.59 1c3v h LYS 649 Ca 0.26 -0.14 -0.01 0.00 -1.87 0.00 0.00 60.65 58.88 1c3v h LYS 649 Cb -0.01 -0.16 -0.02 0.00 0.08 0.00 0.00 32.23 32.12 1c3v h LYS 649 CO -0.05 0.74 0.17 -0.07 -0.57 0.00 0.00 179.45 179.67 1c3v h LEU 650 N 0.87 0.46 0.02 2.94 3.38 -0.80 -1.56 115.31 120.64 1c3v h LEU 650 Ca 0.22 -0.13 -0.00 0.00 0.09 0.00 0.00 57.88 58.05 1c3v h LEU 650 Cb 0.14 -0.12 0.00 0.00 0.09 0.00 0.00 40.66 40.77 1c3v h LEU 650 CO -0.03 0.46 -0.01 0.40 0.09 0.00 0.00 178.44 179.36 1c3v h ILE 651 N 0.43 1.00 0.00 1.22 2.04 -1.00 -1.84 117.51 119.37 1c3v h ILE 651 Ca 0.12 -0.07 -0.01 0.00 1.00 0.00 0.00 64.86 65.90 1c3v h ILE 651 Cb 0.13 1.05 -0.00 0.00 -0.74 0.00 0.00 36.82 37.25 1c3v h ILE 651 CO -0.01 0.02 -0.04 0.00 0.00 0.00 0.00 178.15 178.11 1c3v h ALA 652 N 0.92 1.91 0.00 1.87 0.00 -1.10 -1.55 119.26 121.31 1c3v h ALA 652 Ca -0.00 -0.03 -0.13 0.00 0.00 0.00 0.00 54.91 54.74 1c3v h ALA 652 Cb 0.05 -0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.82 1c3v h ALA 652 CO 0.00 0.05 -0.64 1.49 0.00 0.00 0.00 179.25 180.15 1c3v h GLU 653 N 0.00 0.00 0.00 0.00 4.22 -0.90 -3.24 114.58 114.66 1c3v h GLU 653 Ca -0.00 0.00 -0.04 0.00 0.08 0.00 0.00 59.36 59.40 1c3v h GLU 653 Cb 0.07 0.00 -0.01 0.00 0.50 0.00 0.00 28.75 29.31 1c3v h GLU 653 CO 0.00 0.64 -0.28 0.00 -2.18 0.00 0.00 179.01 177.20 1c3v h ALA 654 N 1.36 0.85 -0.82 2.92 0.00 -0.45 -3.27 119.26 119.85 1c3v h ALA 654 Ca -0.01 -0.16 -0.35 0.00 0.00 0.00 0.00 54.91 54.39 1c3v h ALA 654 Cb 1.43 -0.01 -0.21 0.00 0.00 0.00 0.00 17.79 19.00 1c3v h ALA 654 CO 0.08 0.21 0.42 0.54 0.00 0.00 0.00 179.25 180.50 1c3v n ARG 655 N -3.10 2.82 -0.40 0.00 1.74 -0.97 -4.62 116.66 112.13 1c3v n ARG 655 Ca 0.03 -3.06 -0.10 0.00 -0.77 0.00 0.00 57.85 53.94 1c3v n ARG 655 Cb 0.60 -2.15 -0.09 0.00 -1.02 0.00 0.00 32.46 29.80 1c3v n ARG 655 CO 0.00 0.00 0.00 1.17 -1.52 0.00 0.00 177.63 177.28 1c3v n LYS 656 N -0.74 -0.42 0.20 5.56 3.00 -1.24 -1.69 118.16 122.84 1c3v n LYS 656 Ca 0.49 1.45 0.09 0.00 -0.00 0.00 0.00 58.31 60.34 1c3v n LYS 656 Cb 1.48 -2.13 0.24 0.00 0.00 0.00 0.00 35.03 34.62 1c3v n LYS 656 CO 0.00 0.00 0.00 0.78 0.00 0.00 0.00 177.40 178.18 1c3v h GLY 657 N 0.00 0.00 -1.68 3.14 0.00 -1.92 -3.47 103.07 99.15 1c3v h GLY 657 Ca 0.16 0.00 -0.50 0.00 0.00 0.00 0.00 47.33 46.99 1c3v h GLY 657 CO -0.90 0.00 0.37 1.08 0.00 0.00 0.00 176.54 177.09 1c3v s LEU 658 N -6.44 3.43 0.90 3.11 1.43 -0.68 -5.05 118.68 115.38 1c3v s LEU 658 Ca 0.04 1.84 -0.12 0.00 -1.03 0.00 0.00 54.13 54.86 1c3v s LEU 658 Cb 0.08 -4.53 0.13 0.00 0.03 0.00 0.00 46.19 41.89 1c3v s LEU 658 CO 0.68 -1.31 1.10 -2.16 0.23 0.00 0.00 176.35 174.89 1c3v s PRO 659 N -4.19 1.21 0.88 1.29 0.04 -1.26 -5.03 135.00 127.95 1c3v s PRO 659 Ca 0.64 0.62 -0.12 0.00 0.04 0.00 0.00 61.00 62.18 1c3v s PRO 659 Cb -0.17 -1.82 0.12 0.00 0.04 0.00 0.00 34.50 32.67 1c3v s PRO 659 CO 0.40 -2.22 1.11 -1.25 0.04 0.00 0.00 177.00 175.08 1c3v s PRO 660 N -5.05 1.36 0.32 0.56 0.04 -1.26 -4.98 135.00 126.00 1c3v s PRO 660 Ca 0.63 0.52 -0.29 0.00 0.04 0.00 0.00 61.00 61.90 1c3v s PRO 660 Cb -0.17 -1.85 -0.12 0.00 0.04 0.00 0.00 34.50 32.41 1c3v s PRO 660 CO 0.56 -2.09 1.46 0.09 0.04 0.00 0.00 177.00 177.06 1c3v n ASN 661 N -3.74 3.39 -4.72 6.66 3.02 -1.26 -4.94 115.26 113.67 1c3v n ASN 661 Ca 0.07 1.18 -0.42 0.00 -0.03 0.00 0.00 54.58 55.38 1c3v n ASN 661 Cb 0.57 -1.55 -0.03 0.00 -0.61 0.00 0.00 39.78 38.16 1c3v n ASN 661 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1c3v s PRO 662 N -1.25 4.52 -0.24 3.52 0.04 -1.26 -5.02 135.00 135.31 1c3v s PRO 662 Ca 0.60 1.67 -0.05 0.00 0.04 0.00 0.00 61.00 63.26 1c3v s PRO 662 Cb -0.53 -3.35 0.13 0.00 0.04 0.00 0.00 34.50 30.78 1c3v s PRO 662 CO 0.56 -0.09 0.45 0.34 0.04 0.00 0.00 177.00 178.30 1c3v s ASP 663 N 0.62 -0.28 -0.09 6.66 3.68 -1.26 -5.03 116.67 120.97 1c3v s ASP 663 Ca 0.54 0.71 0.11 0.00 2.13 0.00 0.00 52.55 56.04 1c3v s ASP 663 Cb -0.28 1.45 0.48 0.00 -1.45 0.00 0.00 42.92 43.12 1c3v s ASP 663 CO 0.31 -0.26 1.31 0.00 0.13 0.00 0.00 175.17 176.66 1c3v n ALA 664 N 5.39 3.01 -1.58 3.66 0.00 -1.26 -4.95 120.51 124.78 1c3v n ALA 664 Ca -0.06 -1.06 -0.46 0.00 0.00 0.00 0.00 53.44 51.86 1c3v n ALA 664 Cb 0.50 -1.04 -0.04 0.00 0.00 0.00 0.00 19.45 18.87 1c3v n ALA 664 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1c3v n THR 665 N 0.58 0.39 -0.11 0.00 -1.04 -1.26 -4.84 114.28 108.00 1c3v n THR 665 Ca 0.17 -0.32 -0.19 0.00 -2.04 0.00 0.00 64.05 61.67 1c3v n THR 665 Cb 0.68 -2.20 -0.06 0.00 -1.82 0.00 0.00 70.33 66.92 1c3v n THR 665 CO 0.00 0.00 0.00 -1.54 -0.64 0.00 0.00 175.07 172.89 1c3v n SER 666 N 9.96 1.95 -4.58 8.00 3.41 -1.26 -4.99 113.62 126.11 1c3v n SER 666 Ca 0.30 0.34 -0.33 0.00 -0.26 0.00 0.00 58.87 58.92 1c3v n SER 666 Cb 0.36 -0.78 -0.11 0.00 -0.26 0.00 0.00 64.21 63.42 1c3v n SER 666 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 1c3v s THR 667 N -2.71 3.61 -0.11 6.66 -4.23 -1.26 -5.12 115.64 112.48 1c3v s THR 667 Ca -0.34 -0.67 -0.30 0.00 -1.18 0.00 0.00 61.69 59.20 1c3v s THR 667 Cb 0.09 -2.52 0.10 0.00 1.34 0.00 0.00 72.50 71.51 1c3v s THR 667 CO 0.46 0.49 0.83 -0.55 -0.54 0.00 0.00 174.62 175.31 1c3v s SER 668 N -1.14 -0.52 0.27 3.99 0.15 -1.26 -5.15 113.70 110.05 1c3v s SER 668 Ca 0.15 0.58 -0.29 0.00 0.70 0.00 0.00 55.95 57.09 1c3v s SER 668 Cb -0.11 0.44 -0.09 0.00 -1.71 0.00 0.00 66.02 64.55 1c3v s SER 668 CO 0.05 -0.47 0.96 -0.76 1.20 0.00 0.00 173.24 174.22 1c3v s LEU 669 N -1.12 4.53 -0.10 3.45 1.43 -1.26 -4.96 118.68 120.65 1c3v s LEU 669 Ca -0.06 1.96 -0.36 0.00 -1.03 0.00 0.00 54.13 54.63 1c3v s LEU 669 Cb -0.00 -3.75 -0.14 0.00 0.03 0.00 0.00 46.19 42.32 1c3v s LEU 669 CO 0.06 0.03 1.74 -2.65 0.23 0.00 0.00 176.35 175.76 1c3v n PRO 670 N 1.12 1.72 -0.46 1.29 -0.02 -1.26 -1.87 135.00 135.52 1c3v n PRO 670 Ca -0.00 0.63 0.00 0.00 -2.02 0.00 0.00 63.50 62.10 1c3v n PRO 670 Cb 0.48 -2.39 0.00 0.00 -0.02 0.00 0.00 33.50 31.57 1c3v n PRO 670 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1c3v n GLY 671 N 4.01 1.23 0.29 -1.23 0.00 -1.26 -4.93 105.19 103.29 1c3v n GLY 671 Ca 0.23 0.00 0.04 0.00 0.00 0.00 0.00 46.02 46.29 1c3v n GLY 671 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c3v h ALA 672 N 0.00 1.70 -0.36 4.61 0.00 -1.77 -2.43 119.26 121.02 1c3v h ALA 672 Ca 0.00 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 54.83 1c3v h ALA 672 Cb 0.00 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.66 1c3v h ALA 672 CO 0.00 0.25 0.01 0.54 0.00 0.00 0.00 179.25 180.05 1c3v n ARG 673 N -4.44 3.32 -0.62 0.00 5.12 -1.26 -5.04 116.66 113.73 1c3v n ARG 673 Ca 0.01 -1.91 0.08 0.00 -1.93 0.00 0.00 57.85 54.11 1c3v n ARG 673 Cb 0.11 -1.96 -0.02 0.00 -1.16 0.00 0.00 32.46 29.43 1c3v n ARG 673 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1c3v n GLY 674 N 0.35 -1.53 3.83 -0.13 0.00 -0.92 -4.62 105.19 102.18 1c3v n GLY 674 Ca 0.17 -1.13 -0.33 0.00 0.00 0.00 0.00 46.02 44.73 1c3v n GLY 674 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1c3v s ALA 675 N -1.95 3.19 -0.37 4.61 0.00 -0.29 -4.77 121.76 122.19 1c3v s ALA 675 Ca 0.00 0.24 -0.15 0.00 0.00 0.00 0.00 51.96 52.05 1c3v s ALA 675 Cb 0.00 -2.97 -0.00 0.00 0.00 0.00 0.00 23.12 20.15 1c3v s ALA 675 CO 0.00 0.23 0.36 0.34 0.00 0.00 0.00 175.76 176.69 1c3v s ASP 676 N -2.16 6.16 -0.54 0.00 2.15 -1.26 -0.30 116.67 120.72 1c3v s ASP 676 Ca 0.57 -0.42 0.00 0.00 0.43 0.00 0.00 52.55 53.13 1c3v s ASP 676 Cb -0.10 -2.19 0.14 0.00 -0.30 0.00 0.00 42.92 40.46 1c3v s ASP 676 CO 0.16 -0.39 0.32 -0.69 -0.17 0.00 0.00 175.17 174.40 1c3v s VAL 677 N 1.97 3.13 -1.34 1.11 1.01 -0.56 -4.70 120.40 121.02 1c3v s VAL 677 Ca 0.10 -2.95 -0.08 0.00 0.00 0.00 0.00 61.98 59.05 1c3v s VAL 677 Cb -0.17 -3.11 0.01 0.00 0.00 0.00 0.00 36.38 33.10 1c3v s VAL 677 CO 0.12 -0.81 1.17 0.47 0.00 0.00 0.00 175.10 176.05 1c3v n ASP 678 N 3.53 -6.03 0.00 3.32 10.43 -1.26 -1.93 116.55 124.60 1c3v n ASP 678 Ca 0.05 -0.55 0.00 0.00 2.57 0.00 0.00 54.79 56.87 1c3v n ASP 678 Cb 0.36 -5.04 0.00 0.00 1.84 0.00 0.00 41.12 38.29 1c3v n ASP 678 CO 0.00 0.00 0.00 0.61 -1.07 0.00 0.00 177.20 176.74 1c3v n GLY 679 N -1.94 1.17 3.39 0.44 0.00 -1.26 -4.78 105.19 102.22 1c3v n GLY 679 Ca -0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.64 1c3v n GLY 679 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1c3v s ILE 680 N -3.32 4.08 0.25 -0.61 -1.09 -0.81 -4.75 121.20 114.94 1c3v s ILE 680 Ca 0.00 -0.40 -0.30 0.00 -2.23 0.00 0.00 60.65 57.72 1c3v s ILE 680 Cb 0.00 -2.97 -0.10 0.00 -1.58 0.00 0.00 42.46 37.81 1c3v s ILE 680 CO 0.00 0.25 1.37 -2.84 -1.23 0.00 0.00 174.94 172.49 1c3v s PRO 681 N 1.56 4.32 -0.09 2.79 0.02 -1.26 -1.49 135.00 140.85 1c3v s PRO 681 Ca 0.05 2.21 0.01 0.00 0.02 0.00 0.00 61.00 63.29 1c3v s PRO 681 Cb -0.16 -3.13 0.02 0.00 0.02 0.00 0.00 34.50 31.25 1c3v s PRO 681 CO 0.02 -0.32 -0.12 0.08 -0.33 0.00 0.00 177.00 176.34 1c3v s VAL 682 N -0.19 1.19 -0.14 3.83 1.01 0.59 -1.66 120.40 125.03 1c3v s VAL 682 Ca 0.56 -0.46 -0.02 0.00 0.00 0.00 0.00 61.98 62.06 1c3v s VAL 682 Cb -0.40 -1.12 -0.02 0.00 0.00 0.00 0.00 36.38 34.84 1c3v s VAL 682 CO 0.43 0.38 -0.06 -1.00 0.00 0.00 0.00 175.10 174.85 1c3v s HIS 683 N 1.02 2.96 -0.25 5.22 3.76 0.36 -1.13 115.29 127.23 1c3v s HIS 683 Ca -0.07 -0.35 -0.03 0.00 -0.15 0.00 0.00 55.06 54.45 1c3v s HIS 683 Cb -0.15 -1.91 0.01 0.00 1.11 0.00 0.00 32.58 31.65 1c3v s HIS 683 CO -0.01 -0.05 -0.03 0.00 -0.85 0.00 0.00 174.74 173.81 1c3v s ALA 684 N 0.25 2.81 -0.19 -1.40 0.00 -1.26 -0.01 121.76 121.97 1c3v s ALA 684 Ca -0.05 -1.35 -0.07 0.00 0.00 0.00 0.00 51.96 50.50 1c3v s ALA 684 Cb -0.14 -1.79 -0.04 0.00 0.00 0.00 0.00 23.12 21.15 1c3v s ALA 684 CO 0.04 -0.70 0.04 0.08 0.00 0.00 0.00 175.76 175.22 1c3v s VAL 685 N 1.42 4.55 -0.38 0.00 1.01 0.12 -5.00 120.40 122.12 1c3v s VAL 685 Ca 0.03 -0.12 -0.00 0.00 0.00 0.00 0.00 61.98 61.89 1c3v s VAL 685 Cb -0.16 -3.05 0.10 0.00 0.00 0.00 0.00 36.38 33.28 1c3v s VAL 685 CO -0.03 0.45 0.14 -0.13 0.00 0.00 0.00 175.10 175.53 1c3v s ARG 686 N 0.53 1.84 0.03 2.72 1.81 -1.26 -0.53 118.95 124.10 1c3v s ARG 686 Ca 0.02 -1.82 0.06 0.00 -1.72 0.00 0.00 55.73 52.27 1c3v s ARG 686 Cb -0.13 -3.43 -0.02 0.00 -0.45 0.00 0.00 34.95 30.92 1c3v s ARG 686 CO 0.01 -1.00 -0.18 -1.17 -0.68 0.00 0.00 175.30 172.28 1c3v s LEU 687 N 1.06 2.15 0.32 2.53 2.96 -0.48 -4.75 118.68 122.48 1c3v s LEU 687 Ca 0.09 -0.47 -0.28 0.00 -0.22 0.00 0.00 54.13 53.25 1c3v s LEU 687 Cb -0.21 -0.82 -0.09 0.00 0.50 0.00 0.00 46.19 45.56 1c3v s LEU 687 CO -0.05 0.12 1.16 0.00 -1.32 0.00 0.00 176.35 176.26 1c3v s ALA 688 N -0.76 3.36 0.00 5.97 0.00 -1.26 -2.94 121.76 126.13 1c3v s ALA 688 Ca 0.05 0.99 0.00 0.00 0.00 0.00 0.00 51.96 53.00 1c3v s ALA 688 Cb -0.08 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.67 1c3v s ALA 688 CO 0.01 -0.36 0.00 0.41 0.00 0.00 0.00 175.76 175.83 1c3v n GLY 689 N 0.94 0.77 3.99 0.00 0.00 -1.26 -5.02 105.19 104.61 1c3v n GLY 689 Ca 0.01 0.00 -0.19 0.00 0.00 0.00 0.00 46.02 45.83 1c3v n GLY 689 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1c3v s LEU 690 N 0.00 3.66 0.00 0.99 1.43 -1.15 -5.06 118.68 118.55 1c3v s LEU 690 Ca 0.00 -0.15 0.00 0.00 -1.03 0.00 0.00 54.13 52.95 1c3v s LEU 690 Cb 0.00 -2.82 0.00 0.00 0.03 0.00 0.00 46.19 43.40 1c3v s LEU 690 CO 0.00 -0.74 0.00 0.52 0.23 0.00 0.00 176.35 176.36 1c3v n VAL 691 N -1.93 0.00 -3.55 -1.59 0.31 -1.26 -3.77 118.33 106.54 1c3v n VAL 691 Ca 0.05 0.00 -0.16 0.00 -0.01 0.00 0.00 64.34 64.21 1c3v n VAL 691 Cb 0.59 -0.25 -0.13 0.00 -0.91 0.00 0.00 33.84 33.14 1c3v n VAL 691 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1c3v s ALA 692 N -2.00 -0.39 0.01 3.52 0.00 -1.17 -2.61 121.76 119.13 1c3v s ALA 692 Ca 0.00 0.51 -0.02 0.00 0.00 0.00 0.00 51.96 52.45 1c3v s ALA 692 Cb 0.00 -1.21 -0.01 0.00 0.00 0.00 0.00 23.12 21.90 1c3v s ALA 692 CO 0.00 -0.99 0.02 -1.01 0.00 0.00 0.00 175.76 173.78 1c3v s HIS 693 N 2.36 0.16 -0.03 0.00 4.02 0.03 -0.10 115.29 121.73 1c3v s HIS 693 Ca 0.05 -0.34 -0.09 0.00 1.02 0.00 0.00 55.06 55.70 1c3v s HIS 693 Cb -0.14 -0.13 0.01 0.00 -1.02 0.00 0.00 32.58 31.31 1c3v s HIS 693 CO -0.11 -0.18 0.21 -1.14 1.02 0.00 0.00 174.74 174.54 1c3v s GLN 694 N -1.21 0.46 -0.05 1.40 0.74 -0.64 -0.97 119.66 119.39 1c3v s GLN 694 Ca -0.13 -0.11 -0.00 0.00 0.05 0.00 0.00 55.36 55.16 1c3v s GLN 694 Cb -0.08 0.20 0.03 0.00 1.10 0.00 0.00 33.01 34.26 1c3v s GLN 694 CO -0.00 -0.10 -0.00 -2.00 -0.55 0.00 0.00 175.29 172.63 1c3v s GLU 695 N -0.87 0.51 -0.22 1.67 2.12 0.10 -1.10 118.70 120.92 1c3v s GLU 695 Ca -0.10 0.08 -0.05 0.00 0.36 0.00 0.00 54.97 55.26 1c3v s GLU 695 Cb -0.05 -0.77 -0.02 0.00 0.26 0.00 0.00 34.13 33.55 1c3v s GLU 695 CO 0.02 -0.21 0.00 0.08 -0.54 0.00 0.00 175.26 174.61 1c3v s VAL 696 N 1.50 3.87 -0.16 3.70 1.01 -0.51 -0.81 120.40 128.99 1c3v s VAL 696 Ca -0.03 -0.33 -0.01 0.00 0.00 0.00 0.00 61.98 61.61 1c3v s VAL 696 Cb -0.13 -2.77 -0.01 0.00 0.00 0.00 0.00 36.38 33.47 1c3v s VAL 696 CO -0.03 0.41 -0.10 -0.76 0.00 0.00 0.00 175.10 174.61 1c3v s LEU 697 N 1.27 2.79 -0.07 3.92 1.02 -0.14 -1.67 118.68 125.79 1c3v s LEU 697 Ca 0.04 -0.34 0.05 0.00 0.02 0.00 0.00 54.13 53.90 1c3v s LEU 697 Cb -0.15 -1.65 -0.01 0.00 0.02 0.00 0.00 46.19 44.40 1c3v s LEU 697 CO 0.01 0.11 -0.23 -0.36 0.02 0.00 0.00 176.35 175.90 1c3v s PHE 698 N 0.67 2.51 0.05 0.29 0.40 -0.32 -1.26 117.98 120.33 1c3v s PHE 698 Ca -0.05 -0.72 0.04 0.00 -0.60 0.00 0.00 56.93 55.59 1c3v s PHE 698 Cb -0.15 -1.64 -0.03 0.00 0.51 0.00 0.00 43.02 41.71 1c3v s PHE 698 CO 0.02 -0.22 -0.11 0.20 0.70 0.00 0.00 175.22 175.82 1c3v s GLY 699 N -0.08 0.67 0.21 4.36 0.00 -0.20 -0.40 107.32 111.87 1c3v s GLY 699 Ca -0.05 -0.85 -0.06 0.00 0.00 0.00 0.00 44.72 43.76 1c3v s GLY 699 CO 0.04 -0.88 0.37 -0.37 0.00 0.00 0.00 173.10 172.27 1c3v n THR 700 N 1.48 0.00 -1.48 0.90 5.66 -0.26 -1.65 114.28 118.93 1c3v n THR 700 Ca -0.21 -0.67 -0.44 0.00 -3.05 0.00 0.00 64.05 59.67 1c3v n THR 700 Cb 0.55 0.55 -0.08 0.00 -1.55 0.00 0.00 70.33 69.79 1c3v n THR 700 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 1c3v n GLU 701 N -0.30 0.71 -1.08 1.09 -0.58 -1.26 -2.17 120.64 117.05 1c3v n GLU 701 Ca -0.03 0.11 -0.03 0.00 -0.42 0.00 0.00 57.16 56.79 1c3v n GLU 701 Cb 0.32 -2.43 -0.01 0.00 -0.57 0.00 0.00 31.44 28.75 1c3v n GLU 701 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1c3v n GLY 702 N 6.42 0.47 3.41 0.62 0.00 -1.26 -4.99 105.19 109.86 1c3v n GLY 702 Ca 0.48 -0.11 -0.14 0.00 0.00 0.00 0.00 46.02 46.24 1c3v n GLY 702 CO 0.00 0.00 0.00 -1.83 0.00 0.00 0.00 173.32 171.49 1c3v s GLU 703 N -1.58 1.03 0.09 1.61 -1.05 -0.92 -5.17 118.70 112.70 1c3v s GLU 703 Ca 0.00 -0.16 0.02 0.00 -0.15 0.00 0.00 54.97 54.68 1c3v s GLU 703 Cb 0.00 0.47 -0.04 0.00 -0.44 0.00 0.00 34.13 34.12 1c3v s GLU 703 CO 0.00 -0.36 -0.07 0.95 0.95 0.00 0.00 175.26 176.73 1c3v s THR 704 N -2.22 0.66 -0.08 1.83 -4.23 -1.26 -1.10 115.64 109.24 1c3v s THR 704 Ca -0.06 -1.79 0.01 0.00 -1.18 0.00 0.00 61.69 58.66 1c3v s THR 704 Cb -0.01 -1.51 0.02 0.00 1.34 0.00 0.00 72.50 72.34 1c3v s THR 704 CO 0.00 -0.80 -0.09 -0.22 -0.54 0.00 0.00 174.62 172.98 1c3v s LEU 705 N -2.80 1.38 -0.15 4.79 2.96 0.46 -4.98 118.68 120.34 1c3v s LEU 705 Ca 0.08 -0.26 0.02 0.00 -0.22 0.00 0.00 54.13 53.75 1c3v s LEU 705 Cb 0.03 -0.75 0.01 0.00 0.50 0.00 0.00 46.19 45.98 1c3v s LEU 705 CO -0.04 -0.05 -0.20 -0.89 -1.32 0.00 0.00 176.35 173.85 1c3v s THR 706 N 1.13 2.21 -0.33 3.68 2.01 -1.26 -1.17 115.64 121.92 1c3v s THR 706 Ca -0.06 -0.93 -0.02 0.00 0.31 0.00 0.00 61.69 60.99 1c3v s THR 706 Cb -0.14 -1.90 0.06 0.00 0.01 0.00 0.00 72.50 70.53 1c3v s THR 706 CO -0.01 0.54 0.05 -0.63 -0.69 0.00 0.00 174.62 173.88 1c3v s ILE 707 N 0.84 3.08 -0.09 1.82 1.01 -0.67 -4.97 121.20 122.22 1c3v s ILE 707 Ca -0.06 -1.55 0.02 0.00 0.00 0.00 0.00 60.65 59.07 1c3v s ILE 707 Cb -0.15 -2.86 -0.02 0.00 0.01 0.00 0.00 42.46 39.44 1c3v s ILE 707 CO -0.02 -0.26 -0.17 -0.60 0.00 0.00 0.00 174.94 173.90 1c3v s ARG 708 N 1.23 2.97 -0.08 2.79 3.52 -1.26 -1.42 118.95 126.70 1c3v s ARG 708 Ca -0.01 -0.75 0.03 0.00 -0.13 0.00 0.00 55.73 54.87 1c3v s ARG 708 Cb -0.20 -2.45 -0.02 0.00 -1.56 0.00 0.00 34.95 30.72 1c3v s ARG 708 CO -0.02 0.35 -0.18 -1.58 -0.81 0.00 0.00 175.30 173.06 1c3v s HIS 709 N -0.03 2.63 -0.14 5.12 5.65 -0.26 -5.01 115.29 123.26 1c3v s HIS 709 Ca -0.05 -0.51 -0.00 0.00 0.25 0.00 0.00 55.06 54.75 1c3v s HIS 709 Cb -0.14 -1.68 0.03 0.00 -1.18 0.00 0.00 32.58 29.61 1c3v s HIS 709 CO 0.04 -0.08 -0.08 -0.51 -0.65 0.00 0.00 174.74 173.46 1c3v s ASP 710 N -0.20 2.59 -0.78 9.88 1.11 -1.26 -1.62 116.67 126.39 1c3v s ASP 710 Ca -0.01 -0.50 -0.14 0.00 0.18 0.00 0.00 52.55 52.08 1c3v s ASP 710 Cb -0.13 -0.96 0.20 0.00 1.07 0.00 0.00 42.92 43.10 1c3v s ASP 710 CO 0.03 -0.13 0.71 -0.44 1.18 0.00 0.00 175.17 176.52 1c3v s SER 711 N 1.62 6.61 0.37 0.27 0.01 0.86 -4.87 113.70 118.57 1c3v s SER 711 Ca 0.03 -2.56 0.20 0.00 1.31 0.00 0.00 55.95 54.93 1c3v s SER 711 Cb -0.14 -2.19 0.47 0.00 0.21 0.00 0.00 66.02 64.37 1c3v s SER 711 CO -0.09 -0.61 1.63 -0.07 0.41 0.00 0.00 173.24 174.52 1c3v h LEU 712 N 7.92 0.00 -7.89 2.44 4.07 -1.98 -3.09 115.31 116.78 1c3v h LEU 712 Ca 0.04 0.00 -0.22 0.00 0.08 0.00 0.00 57.88 57.78 1c3v h LEU 712 Cb 1.05 0.00 -0.25 0.00 1.08 0.00 0.00 40.66 42.54 1c3v h LEU 712 CO 0.79 0.32 -0.72 -0.62 -1.08 0.00 0.00 178.44 177.14 1c3v s ASP 713 N -6.32 0.26 0.15 -0.43 2.15 -1.26 -4.89 116.67 106.33 1c3v s ASP 713 Ca 0.03 -0.26 0.17 0.00 0.43 0.00 0.00 52.55 52.92 1c3v s ASP 713 Cb 0.08 0.03 0.76 0.00 -0.30 0.00 0.00 42.92 43.50 1c3v s ASP 713 CO 0.69 -0.13 1.53 0.54 -0.17 0.00 0.00 175.17 177.63 1c3v n ARG 714 N 2.33 0.10 0.19 4.34 1.74 -1.26 -1.81 116.66 122.28 1c3v n ARG 714 Ca -0.18 0.40 0.14 0.00 -0.77 0.00 0.00 57.85 57.44 1c3v n ARG 714 Cb 0.57 -1.71 0.58 0.00 -1.02 0.00 0.00 32.46 30.89 1c3v n ARG 714 CO 0.00 0.00 0.00 1.79 -1.52 0.00 0.00 177.63 177.90 1c3v h THR 715 N 0.00 0.00 0.00 0.55 1.35 -1.98 -2.84 112.91 109.99 1c3v h THR 715 Ca 0.00 -0.31 0.00 0.00 -0.55 0.00 0.00 66.41 65.55 1c3v h THR 715 Cb 0.23 1.12 0.00 0.00 -1.73 0.00 0.00 68.15 67.78 1c3v h THR 715 CO 0.00 0.00 0.00 0.77 -0.25 0.00 0.00 175.52 176.04 1c3v h SER 716 N 0.00 0.00 0.85 5.36 4.64 -1.79 -1.98 113.55 120.63 1c3v h SER 716 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1c3v h SER 716 Cb 0.39 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.48 1c3v h SER 716 CO 0.00 0.00 -0.88 0.49 -0.87 0.00 0.00 176.83 175.57 1c3v n PHE 717 N -2.71 0.70 0.18 4.77 0.99 -1.07 -4.32 117.46 116.00 1c3v n PHE 717 Ca -0.01 0.20 -0.15 0.00 -0.00 0.00 0.00 57.45 57.49 1c3v n PHE 717 Cb 0.13 -0.76 -0.08 0.00 -1.00 0.00 0.00 39.48 37.77 1c3v n PHE 717 CO 0.00 0.00 0.00 0.28 -0.00 0.00 0.00 176.76 177.04 1c3v h VAL 718 N 0.00 0.17 -0.61 -4.37 2.07 -1.53 -2.25 116.25 109.72 1c3v h VAL 718 Ca 0.00 0.00 0.12 0.00 0.82 0.00 0.00 66.70 67.64 1c3v h VAL 718 Cb 0.86 0.17 -0.11 0.00 -1.52 0.00 0.00 31.29 30.69 1c3v h VAL 718 CO 0.00 0.00 -0.09 -0.65 0.02 0.00 0.00 177.57 176.85 1c3v h PRO 719 N -0.75 0.04 -0.64 1.57 0.11 -1.78 0.22 132.00 130.77 1c3v h PRO 719 Ca -0.01 -0.00 -0.04 0.00 0.11 0.00 0.00 66.00 66.06 1c3v h PRO 719 Cb 0.71 -0.01 -0.03 0.00 0.11 0.00 0.00 31.00 31.79 1c3v h PRO 719 CO -0.15 0.03 0.25 0.78 -0.21 0.00 0.00 178.00 178.69 1c3v h GLY 720 N 0.04 1.03 0.89 -0.55 0.00 -1.63 -1.55 103.07 101.29 1c3v h GLY 720 Ca 0.30 -0.57 -0.03 0.00 0.00 0.00 0.00 47.33 47.04 1c3v h GLY 720 CO -0.59 0.53 -0.26 -2.08 0.00 0.00 0.00 176.54 174.14 1c3v h VAL 721 N 0.90 0.43 -0.67 4.60 2.07 -0.64 -2.18 116.25 120.75 1c3v h VAL 721 Ca 0.21 -0.19 0.03 0.00 0.82 0.00 0.00 66.70 67.58 1c3v h VAL 721 Cb 0.22 0.51 -0.04 0.00 -1.52 0.00 0.00 31.29 30.46 1c3v h VAL 721 CO -0.02 0.03 0.44 -0.07 0.02 0.00 0.00 177.57 177.98 1c3v h LEU 722 N -0.85 0.69 -0.40 2.57 3.38 -1.01 0.89 115.31 120.58 1c3v h LEU 722 Ca -0.07 -0.01 -0.00 0.00 0.09 0.00 0.00 57.88 57.88 1c3v h LEU 722 Cb 0.61 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 41.18 1c3v h LEU 722 CO 0.12 0.48 0.23 0.25 0.09 0.00 0.00 178.44 179.61 1c3v h LEU 723 N 0.80 0.49 -0.75 1.67 5.85 -1.21 -0.81 115.31 121.35 1c3v h LEU 723 Ca 0.27 -0.07 -0.12 0.00 0.84 0.00 0.00 57.88 58.80 1c3v h LEU 723 Cb 0.07 -0.12 -0.01 0.00 0.37 0.00 0.00 40.66 40.97 1c3v h LEU 723 CO -0.08 0.42 -0.33 0.00 -0.34 0.00 0.00 178.44 178.11 1c3v h ALA 724 N 1.09 0.93 -0.12 1.25 0.00 -0.65 -2.61 119.26 119.16 1c3v h ALA 724 Ca 0.14 -0.40 -0.01 0.00 0.00 0.00 0.00 54.91 54.65 1c3v h ALA 724 Cb 0.02 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 17.69 1c3v h ALA 724 CO -0.03 0.62 0.05 0.28 0.00 0.00 0.00 179.25 180.17 1c3v h VAL 725 N 0.49 1.14 -0.35 0.00 2.07 -0.45 -0.58 116.25 118.57 1c3v h VAL 725 Ca 0.06 -0.42 -0.07 0.00 0.82 0.00 0.00 66.70 67.09 1c3v h VAL 725 Cb 0.81 1.20 -0.01 0.00 -1.52 0.00 0.00 31.29 31.77 1c3v h VAL 725 CO 0.07 0.13 -0.06 0.03 0.02 0.00 0.00 177.57 177.75 1c3v h ARG 726 N 0.04 0.66 -0.65 1.57 3.08 -1.17 -3.13 114.38 114.78 1c3v h ARG 726 Ca 0.04 -0.24 -0.01 0.00 0.07 0.00 0.00 59.98 59.84 1c3v h ARG 726 Cb 0.16 -0.04 -0.00 0.00 0.08 0.00 0.00 29.97 30.16 1c3v h ARG 726 CO -0.00 0.81 0.01 0.54 -1.07 0.00 0.00 179.97 180.26 1c3v n ARG 727 N -4.43 4.27 0.02 0.04 1.74 -0.99 -4.59 116.66 112.73 1c3v n ARG 727 Ca -0.02 -2.66 -0.10 0.00 -0.77 0.00 0.00 57.85 54.29 1c3v n ARG 727 Cb 0.32 -2.15 -0.04 0.00 -1.02 0.00 0.00 32.46 29.57 1c3v n ARG 727 CO 0.00 0.00 0.00 0.97 -1.52 0.00 0.00 177.63 177.08 1c3v h ILE 728 N 3.33 0.77 0.00 0.55 6.09 -1.04 -2.48 117.51 124.74 1c3v h ILE 728 Ca 0.01 0.00 0.00 0.00 -1.37 0.00 0.00 64.86 63.50 1c3v h ILE 728 Cb 1.77 0.77 0.00 0.00 0.47 0.00 0.00 36.82 39.83 1c3v h ILE 728 CO 0.43 0.00 0.00 0.00 -3.07 0.00 0.00 178.15 175.51 1c3v h ALA 729 N 0.93 1.00 -0.60 0.18 0.00 -1.84 -3.00 119.26 115.93 1c3v h ALA 729 Ca 0.05 0.00 0.07 0.00 0.00 0.00 0.00 54.91 55.03 1c3v h ALA 729 Cb 0.19 0.00 -0.04 0.00 0.00 0.00 0.00 17.79 17.94 1c3v h ALA 729 CO -0.13 0.00 0.40 0.93 0.00 0.00 0.00 179.25 180.45 1c3v h GLU 730 N 0.00 0.54 -4.53 0.00 5.08 -1.78 -3.39 114.58 110.49 1c3v h GLU 730 Ca 0.00 -0.03 -0.60 0.00 -1.00 0.00 0.00 59.36 57.73 1c3v h GLU 730 Cb 0.15 -0.12 -0.37 0.00 0.50 0.00 0.00 28.75 28.91 1c3v h GLU 730 CO 0.00 0.35 -0.82 1.03 -1.00 0.00 0.00 179.01 178.58 1c3v s ARG 731 N -5.50 2.02 0.34 2.33 0.52 -1.14 -5.12 118.95 112.39 1c3v s ARG 731 Ca -0.08 -0.65 -0.26 0.00 -0.52 0.00 0.00 55.73 54.22 1c3v s ARG 731 Cb 0.19 -2.19 -0.10 0.00 0.52 0.00 0.00 34.95 33.38 1c3v s ARG 731 CO 0.75 -0.34 0.98 -2.14 0.02 0.00 0.00 175.30 174.57 1c3v s PRO 732 N 1.48 4.48 1.25 3.54 0.02 -1.26 -4.63 135.00 139.88 1c3v s PRO 732 Ca 0.02 1.41 0.00 0.00 0.02 0.00 0.00 61.00 62.44 1c3v s PRO 732 Cb -0.15 -2.76 0.00 0.00 0.02 0.00 0.00 34.50 31.61 1c3v s PRO 732 CO -0.09 0.17 0.00 0.41 -0.33 0.00 0.00 177.00 177.16 1c3v n GLY 733 N 0.55 -0.48 3.91 0.52 0.00 -0.88 -4.93 105.19 103.88 1c3v n GLY 733 Ca 0.02 -1.54 -0.29 0.00 0.00 0.00 0.00 46.02 44.21 1c3v n GLY 733 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1c3v s LEU 734 N 0.00 4.12 0.09 0.99 2.96 -1.25 0.31 118.68 125.91 1c3v s LEU 734 Ca 0.00 0.64 0.00 0.00 -0.22 0.00 0.00 54.13 54.55 1c3v s LEU 734 Cb 0.00 -3.43 0.00 0.00 0.50 0.00 0.00 46.19 43.26 1c3v s LEU 734 CO 0.00 -0.13 0.00 0.41 -1.32 0.00 0.00 176.35 175.31 1c3v n THR 735 N -0.74 0.59 -1.09 3.68 -1.04 -1.10 -4.97 114.28 109.60 1c3v n THR 735 Ca -0.02 0.20 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 1c3v n THR 735 Cb 0.54 -1.30 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 1c3v n THR 735 CO 0.00 0.00 0.00 0.52 -0.64 0.00 0.00 175.07 174.95 1c3v n VAL 736 N -3.27 -3.09 -0.67 12.58 0.31 -1.18 -4.96 118.33 118.05 1c3v n VAL 736 Ca 0.00 0.30 0.05 0.00 -0.01 0.00 0.00 64.34 64.69 1c3v n VAL 736 Cb 0.14 -3.22 -0.03 0.00 -0.91 0.00 0.00 33.84 29.81 1c3v n VAL 736 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 1c3v n GLY 737 N 0.17 -3.10 1.62 2.92 0.00 0.46 -4.70 105.19 102.56 1c3v n GLY 737 Ca 0.00 -1.21 -0.03 0.00 0.00 0.00 0.00 46.02 44.77 1c3v n GLY 737 CO 0.00 0.00 0.00 1.47 0.00 0.00 0.00 173.32 174.79 1c3v n LEU 738 N -2.74 5.31 -0.27 0.99 -0.00 -1.26 -4.58 117.00 114.45 1c3v n LEU 738 Ca -0.03 -3.30 -0.06 0.00 -0.00 0.00 0.00 56.01 52.62 1c3v n LEU 738 Cb 0.28 -0.69 0.06 0.00 -0.00 0.00 0.00 43.42 43.07 1c3v n LEU 738 CO 0.01 0.87 1.06 -0.33 -0.00 0.00 0.00 177.39 179.01 1c3v h GLU 739 N 2.10 1.07 0.00 1.47 3.07 -1.97 -2.66 114.58 117.66 1c3v h GLU 739 Ca 0.22 -0.17 -0.04 0.00 -0.50 0.00 0.00 59.36 58.88 1c3v h GLU 739 Cb 2.05 -0.19 -0.01 0.00 -0.84 0.00 0.00 28.75 29.77 1c3v h GLU 739 CO 0.58 0.85 -0.18 -1.35 -1.40 0.00 0.00 179.01 177.51 1c3v h PRO 740 N 1.04 0.00 0.00 2.33 0.11 -1.90 -0.72 132.00 132.85 1c3v h PRO 740 Ca 0.25 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.36 1c3v h PRO 740 Cb 0.14 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.25 1c3v h PRO 740 CO -0.03 0.18 0.00 1.28 -0.21 0.00 0.00 178.00 179.22 1c3v n LEU 741 N -4.17 0.00 0.00 2.35 4.32 -1.00 -4.05 117.00 114.45 1c3v n LEU 741 Ca -0.02 0.36 0.00 0.00 -0.02 0.00 0.00 56.01 56.33 1c3v n LEU 741 Cb 0.25 -0.36 0.00 0.00 -1.62 0.00 0.00 43.42 41.69 1c3v n LEU 741 CO 0.35 -0.15 0.08 0.00 -1.22 0.00 0.00 177.39 176.45 1c3v n LEU 742 N -1.36 0.00 0.13 2.23 -0.00 -1.03 -4.81 117.00 112.16 1c3v n LEU 742 Ca 0.07 -0.33 0.09 0.00 -0.00 0.00 0.00 56.01 55.84 1c3v n LEU 742 Cb 0.16 0.00 0.46 0.00 -0.00 0.00 0.00 43.42 44.04 1c3v n LEU 742 CO 0.15 0.33 0.76 0.47 -0.00 0.00 0.00 177.39 179.10 1c3v n ASP 743 N 0.00 0.44 -0.02 1.45 8.00 -0.31 -0.79 116.55 125.32 1c3v n ASP 743 Ca 0.00 0.70 0.02 0.00 0.71 0.00 0.00 54.79 56.22 1c3v n ASP 743 Cb 0.49 -0.76 -0.02 0.00 -0.02 0.00 0.00 41.12 40.81 1c3v n ASP 743 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1c3v n LEU 744 N -2.09 0.34 0.00 0.64 -0.00 -1.26 -5.13 117.00 109.51 1c3v n LEU 744 Ca -0.01 -0.56 0.04 0.00 -0.00 0.00 0.00 56.01 55.47 1c3v n LEU 744 Cb 0.03 0.00 0.21 0.00 -0.00 0.00 0.00 43.42 43.66 1c3v n LEU 744 CO 0.08 0.08 0.44 1.41 -0.00 0.00 0.00 177.39 179.40